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| CAS No.: | 6091-44-7 |
|---|---|
| Name: | Piperidine hydrochloride |
| Molecular Structure: | |
|
|
|
| Formula: | C5H11N.HCl |
| Molecular Weight: | 121.61 |
| Synonyms: | Piperidine, hydrochloride (7CI,8CI,9CI);Piperidinium chloride;Piperidine, hydrochloride (1:1);Hexahydropyridine hydrochloride;NSC 27162; |
| EINECS: | 228-033-8 |
| Density: | 1,12 g/cm3 |
| Melting Point: | 245-249 °C |
| Boiling Point: | 106.4 °C at 760 mmHg |
| Flash Point: | 4.4 °C |
| Solubility: | Soluble in water and ethanol |
| Appearance: | white fine crystalline powder |
| Hazard Symbols: |
 T
|
| Risk Codes: | 36/37/38-23/24/25 |
| Safety: | 36/37/39-45-26 |
| Transport Information: | UN 2811 6.1/PG 3 |
| PSA: | 16.61000 |
| LogP: | -1.69310 |
piperidine
A
Succinimide
B
N,N'-thiodipiperidine
C
piperidine hydrochloride
| Conditions | Yield |
|---|---|
| With N-chlorothiophthalimide In 1,2-dichloro-ethane at 20 - 25℃; for 2h; | A n/a B 77% C 100% |
| Conditions | Yield |
|---|---|
| With hydroxylamine hydrochloride In ethanol for 2h; Reflux; | 100% |
| With tetrachloromethane; dicarbonylchloro(2,1,3-benzothiadiazole)rhodium(I) for 360h; Ambient temperature; also with other chlorinated solvents and rhodium complex catalysts; | 50% |
| Multi-step reaction with 2 steps 1: 18 percent / CHCl3 / 8 h / Heating 2: 0.4 g / HCl / diethyl ether View Scheme |
| Conditions | Yield |
|---|---|
| Stage #1: pyridine With palladium 10% on activated carbon; hydrogen; acetic acid at 24 - 28℃; for 15h; Stage #2: With hydrogenchloride In methanol; water Catalytic behavior; | 100% |
| Stage #1: pyridine With palladium on activated charcoal; hydrogen; acetic acid at 20℃; under 760.051 Torr; for 15h; Stage #2: With hydrogenchloride In methanol; water Time; | 100% |
| With hydrogenchloride; methanol; lithium triethylborohydride 1.) THF, RT. 0.5 h; Yield given. Multistep reaction; | |
| Stage #1: pyridine With ammonium formate; 10percent palladium on carbon In methanol at 20℃; for 16h; Stage #2: With hydrogenchloride In methanol Further stages.; | 95 % Spectr. |
| Stage #1: pyridine With hydrogen In 1,4-dioxane at 100℃; under 15001.5 Torr; for 3.33333h; Autoclave; Stage #2: With hydrogenchloride |
| Conditions | Yield |
|---|---|
| Stage #1: 2-chloropyridine-N-oxide With ammonium formate; 10percent palladium on carbon In methanol at 20℃; for 16h; Stage #2: With hydrogenchloride In methanol Further stages.; | 100% |
N-(2-chloropropionyl)piperidine
piperidine hydrochloride
| Conditions | Yield |
|---|---|
| With methanol at 50℃; for 0.5h; | 99% |
A
piperidine hydrochloride
B
2-(2'-nitrophenylsulphone)indene
| Conditions | Yield |
|---|---|
| With piperidine In tetrahydrofuran for 0.166667h; Ambient temperature; | A n/a B 99% |
t-butyl piperidinecarboxylate
piperidine hydrochloride
| Conditions | Yield |
|---|---|
| With sulfuric acid; sodium chloride In neat (no solvent) at 20℃; for 1h; Sealed tube; | 99% |
| Conditions | Yield |
|---|---|
| for 6h; | A n/a B 98% |
| Conditions | Yield |
|---|---|
| With 1,1,2-trichloroethane; 10% palladium on activated carbon; hydrogen In methanol under 760.051 Torr; for 1h; chemoselective reaction; | 98% |
| With dichloromethane; hydrogen; palladium on activated charcoal In methanol at 20℃; for 24h; atmospheric pressure; | 97% |
| With Na2K-SG(I) In tetrahydrofuran at 20℃; Inert atmosphere; | 82% |
| With hydrogenchloride; Vinyl chloroformate 1.) CH2Cl2, 0 deg C to room temperature;reflux, 4 h, 3.) MeOH, 50-60 deg C, 4.5 h; Yield given. Multistep reaction; |
1-(cyclohex-1-en-1-yl)piperidine
methyl 3-phenyl-3-chloro-2-ketopropionate
A
2-phenyl-1-(1-piperidinyl)ethanone
C
piperidine hydrochloride
| Conditions | Yield |
|---|---|
| In 1,4-dioxane for 2h; Reflux; | A 4% B 95% C 1% |
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Reported in EPA TSCA Inventory.
The Piperidine hydrochloride, with the CAS registry number 6091-44-7, is also known as Piperidine, hydrochloride (1:1). It belongs to the product categories of Piperidine; Building Blocks; Heterocyclic Building Blocks; Piperidines. Its EINECS number is 228-033-8. This chemical's molecular formula is C5H11N.HCl and molecular weight is 121.63. What's more, its systematic name is Piperidinium chloride. Its classification code is Drug / Therapeutic Agent. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light. This chemical is used in organic synthesis.
Physical properties of Piperidine hydrochloride are: (1)ACD/LogP: 0.932; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.17; (4)ACD/LogD (pH 7.4): -2.10; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Flash Point: 4.4 °C; (13)Enthalpy of Vaporization: 34.53 kJ/mol; (14)Boiling Point: 106.4 °C at 760 mmHg; (15)Vapour Pressure: 28.3 mmHg at 25°C.
Preparation: this chemical can be prepared by N-(2-chloropropionyl)piperidine at the temperature of 50 °C. This reaction will need reagent methanol with the reaction time of 30 min. The yield is about 99%.
Uses of Piperidine hydrochloride: it can be used to produce 2,8-Dimethyl-6-(1-piperidyl)-9H-purin at the temperature of 200 °C. It will need reagents P2O5, NEt3·HCl with the reaction time of 3 hours. The yield is about 76%.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].[NH2+]1CCCCC1
(2)Std. InChI: InChI=1S/C5H11N.ClH/c1-2-4-6-5-3-1;/h6H,1-5H2;1H
(3)Std. InChIKey: VEIWYFRREFUNRC-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| frog | LDLo | subcutaneous | 1gm/kg (1000mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION CARDIAC: PULSE RATE AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC | Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 50, Pg. 199, 1903. |
| mouse | LD50 | intraperitoneal | 330mg/kg (330mg/kg) | BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Japanese Journal of Pharmacology. Vol. 17, Pg. 475, 1967. |
| mouse | LD50 | intravenous | 160mg/kg (160mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 112, Pg. 36, 1957. | |
| mouse | LDLo | subcutaneous | 657mg/kg (657mg/kg) | Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 50, Pg. 199, 1903. | |
| mouse | LDLo | subcutaneous | 657mg/kg (657mg/kg) | LUNGS, THORAX, OR RESPIRATION: CYANOSIS AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC | Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 50, Pg. 199, 1903. |
| rat | LD50 | oral | 133mg/kg (133mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 289, 1972. |
