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1-Benzyl-3-piperidinol

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Name

1-Benzyl-3-piperidinol

EINECS 238-881-0
CAS No. 14813-01-5 Density 1.106 g/cm3
PSA 23.47000 LogP 1.58120
Solubility N/A Melting Point 168-172oC
Formula C12H17NO Boiling Point 296.8 °C at 760 mmHg
Molecular Weight 191.273 Flash Point 96.3 °C
Transport Information UN 2811 6.1/PG 3 Appearance White solid
Safety 26-45 Risk Codes 25-36/37/38
Molecular Structure Molecular Structure of 14813-01-5 (1-Benzyl-3-piperidinol) Hazard Symbols ToxicT
Synonyms

3-Piperidinol,1-benzyl- (7CI,8CI);1-Benzyl-3-hydroxypiperidine;3-Hydroxy-N-benzylpiperidine;N-Benzyl-3-piperidinol;1-Bezyl-3-piperidinol;3-Piperidinol, 1-(phenylmethyl)-;

Article Data 21

1-Benzyl-3-piperidinol Specification

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%. 

3-Piperidinol,1-(phenylmethyl)- can be prepared by piperidin-3-ol and chloromethyl-benzene

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%.

3-Piperidinol,1-(phenylmethyl)- can react with diketene to produce 3-oxo-butyric acid 1-benzyl-piperidin-3-yl ester

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

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