- 3-Piperidinemethanol
- 3-Piperidinemethanol, (3S)-
- 3-Piperidinemethanol,3-amino-1-(phenylmethyl)-
- 3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl-
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Cas Database |
| Name |
3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl- |
EINECS | N/A |
| CAS No. | 318279-38-8 | Density | 1.092 g/cm3 |
| PSA | 23.47000 | LogP | 1.79120 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H18FNO | Boiling Point | 300.283 °C at 760 mmHg |
| Molecular Weight | 223.29 | Flash Point | 135.406 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
((3R)-4-(4-Fluorophenyl)-1-methylpiperidin-3-yl)methanol; |
Article Data | 11 |
3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl- Synthetic route
- 202534-94-9
trans 3-ethoxycarbonyl-4-(4'-fluorophenyl)-N-methyl-piperidine-2,6-dione
- 7664-93-9
sulfuric acid
- 318279-38-8
trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methyl piperidine
| Conditions | Yield |
|---|---|
| With sodium hydroxide In tetrahydrofuran | 91% |
| With sodium hydroxide In tetrahydrofuran | 91% |
- 202534-94-9
trans 3-ethoxycarbonyl-4-(4'-fluorophenyl)-N-methyl-piperidine-2,6-dione
- 318279-38-8
trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methyl piperidine
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In tetrahydrofuran; dichloromethane; toluene at -15 - 40℃; for 2.5h; Solvent; Inert atmosphere; | 75% |
| With sodium hydroxide In tetrahydrofuran; water | 65% |
- 216690-19-6
(3RS,4SR)-[4-(4-fluoro-phenyl)-piperidin-3-yl]-methanol
- 318279-38-8
trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methyl piperidine
| Conditions | Yield |
|---|---|
| aluminum nickel In methanol; water |
- 315197-82-1
4-(4-fluorophenyl)-1-methyl-piperidine-3-carboxylic acid methyl ester
- 318279-38-8
trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methyl piperidine
| Conditions | Yield |
|---|---|
| Stage #1: 4-(4-fluorophenyl)-1-methyl-piperidine-3-carboxylic acid methyl ester With sodium bis(2-methoxyethoxy)aluminium dihydride In toluene at 27 - 40℃; for 0.25h; Stage #2: With hydrogenchloride In water; toluene at 12℃; for 0.25h; |
- 64-17-5
ethanol
- 144-55-8
sodium hydrogencarbonate
- 318279-38-8
trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methyl piperidine
| Conditions | Yield |
|---|---|
| platinum (IV) oxide In dichloromethane |
- 598-56-1
N,N-dimethyl-ethanamine
- 98-59-9
p-toluenesulfonyl chloride
- 105812-81-5
(3S,4R)-trans-4-(4-fluorophenyl)-3-hydroxymethyl-N-methylpiperidine
- 318279-38-8
trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methyl piperidine
- 317323-77-6
(3S,4R)-trans-4-(4-fluorophenyl)-1-methyl-3-p-toluenesulphonyloxymethyl-piperidine
| Conditions | Yield |
|---|---|
| With sodium hydroxide In dichloromethane |
3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl- Specification
The 3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl-, with the CAS registry number 318279-38-8, is also known as ((3R)-4-(4-Fluorophenyl)-1-methylpiperidin-3-yl)methanol. This chemical's molecular formula is C13H18FNO and molecular weight is 223.2865. What's more, its systematic name is called [4-(4-Fluorophenyl)-1-methylpiperidin-3-yl]methanol.
Physical properties about 3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl- are: (1)ACD/LogP: 2.00; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 23.47 Å2; (7)Index of Refraction: 1.518; (8)Molar Refractivity: 62 cm3; (9)Molar Volume: 204.473 cm3; (10)Polarizability: 24.579×10-24 cm3; (11)Surface Tension: 36.104 dyne/cm; (12)Density: 1.092 g/cm3; (13)Flash Point: 135.406 °C; (14)Enthalpy of Vaporization: 57.059 kJ/mol; (15)Boiling Point: 300.283 °C at 760 mmHg; (16)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(cc1)C2CCN(C)CC2CO
(2) InChI: InChI=1/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3
(3) InChIKey: CXRHUYYZISIIMT-UHFFFAOYAO
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