1-Benzyl-3-piperidinol

The 3-Piperidinol,1-(phenylmethyl)-, with the CAS registry number 14813-01-5 and EINECS registry number 238-881-0, has the systematic name and IUPAC name of 1-benzylpiperidin-3-ol. It is a kind of hygroscopic chemical, and belongs to the product category of Piperidine. And the molecular formula of this chemical is C₁₂H₁₇NO.

The physical properties of 3-Piperidinol,1-(phenylmethyl)- are as followings: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.13; (4)ACD/LogD (pH 7.4): 0.58; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.05; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 21.59; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 57.38 cm³; (15)Molar Volume: 172.8 cm³; (16)Polarizability: 22.74×10^-24cm³; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.106 g/cm³; (19)Flash Point: 96.3 °C; (20)Enthalpy of Vaporization: 56.67 kJ/mol; (21)Boiling Point: 296.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000631 mmHg at 25°C.

Preparation of 3-Piperidinol,1-(phenylmethyl)-: This chemical can be prepared by piperidin-3-ol and chloromethyl-benzene. The reaction will need reagent sodium carbonate, and the solvent acetone. The reaction time is 25 hours with ambient temperature, and the yield is about 73%. 

Uses of 3-Piperidinol,1-(phenylmethyl)-: It can react with diketene to produce 3-oxo-butyric acid 1-benzyl-piperidin-3-yl ester. This reaction will need reagent Et₃N, and the solvent CHCl₃. The reaction time is 10 hours with ambient temperature, and the yield is about 100%.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also toxic if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: OC2CCCN(Cc1ccccc1)C2
(2)InChI: InChI=1/C12H17NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2
(3)InChIKey: UTTCOAGPVHRUFO-UHFFFAOYAY