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106-52-5

Basic Information
CAS No.: 106-52-5
Name: 4-Piperidinol,1-methyl-
Article Data: 38
Molecular Structure:
Molecular Structure of 106-52-5 (4-Piperidinol,1-methyl-)
Formula: C6H13NO
Molecular Weight: 115.175
Synonyms: 1-Methyl-4-hydroxypiperidine;1-Methyl-4-piperidinol;4-Hydroxy-1-methylpiperidine;4-Hydroxy-N-methylpiperidine;N-Methyl-4-hydroxypiperidine;NSC 60705;
EINECS: 203-406-8
Density: 1.005 g/cm3
Melting Point: 29-31 °C
Boiling Point: 200 °C at 760 mmHg
Flash Point: 87.8 °C
Solubility: miscible with water
Appearance: clear colorless to yellowish liquid after melting
Hazard Symbols: IrritantXi,CorrosiveC
Risk Codes: 37/38-41-36/37/38-34
Safety: 26-37/39-45-36/37/39-27
PSA: 23.47000
LogP: 0.01080
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Specification

The IUPAC name of 4-Hydroxy-N-methylpiperidine is 1-methylpiperidin-4-ol. With the CAS registry number 106-52-5 and EINECS 203-406-8, it is also named as 1-Methyl-4-hydroxypiperidine. The product's categories are Pharmaceutical Intermediates; Piperidine. It is clear colorless to yellowish liquid after melting which can be obtained by 1-methyl-4-piperidone from the catalytic hydrogenation of nickel. Additionally, this chemical should be sealed in the container and stored in the cool and well-ventilated place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.27; (4)ACD/LogD (pH 7.4): -1.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 32.92 cm3; (15)Molar Volume: 114.4 cm3; (16)Surface Tension: 36.7 dyne/cm; (17)Enthalpy of Vaporization: 50.75 kJ/mol; (18)Vapour Pressure: 0.0827 mmHg at 25°C; (19)Exact Mass: 115.099714; (20)MonoIsotopic Mass: 115.099714; (21)Topological Polar Surface Area: 23.5; (22)Heavy Atom Count: 8; (23)Complexity: 66.9.

Uses of 4-Hydroxy-N-methylpiperidine: It is used as intermediate of pizotifen and cyproheptadine hydrochloride. It also can react with 6-(2-phenyl-pyrazolo[1,5-a]pyridin-3-yl)-2H-pyridazin-3-one to get 2-(1-methyl-piperidin-4-yl)-6-(2-phenyl-pyrazolo[1,5-a]pyridin-3-yl)-2H-pyridazin-3-one. This reaction which is a kind of Mitsunobu reaction needs reagents PPh3, DEAD and solvent tetrahydrofuran at temperature of -5-0 °C. The reaction time is 4.0 hours. The yield is 79%.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. It is aldo irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure. 
1. SMILES:OC1CCN(C)CC1
2. InChI:InChI=1/C6H13NO/c1-7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3
3. InChIKey:BAUWRHPMUVYFOD-UHFFFAOYAG