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56108-25-9

Basic Information
CAS No.: 56108-25-9
Name: 1-Benzyl-4-(p-chlorophenyl)-4-piperidinol
Article Data: 13
Molecular Structure:
Molecular Structure of 56108-25-9 (1-Benzyl-4-(p-chlorophenyl)-4-piperidinol)
Formula: C18H20ClNO
Molecular Weight: 301.816
Synonyms: 1-Benzyl-4-(p-chlorophenyl)-4-piperidinol;1-Benzyl-4-(4-chlorophenyl)-4-hydroxypiperidine;1-Benzyl-4-(4-chlorophenyl)piperidin-4-ol;
Density: 1.22 g/cm3
Boiling Point: 447.5 °C at 760 mmHg
Flash Point: 224.5 °C
PSA: 23.47000
LogP: 3.76150
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Specification

The 1-Benzyl-4-(4-chlorophenyl)-4-piperidinol, with the CAS registry number 56108-25-9, is also known as 4-Piperidinol, 4-(4-chlorophenyl)-1-(phenylmethyl)-. This chemical's molecular formula is C18H20ClNO and molecular weight is 301.81. Its systematic name is called 1-benzyl-4-(4-chlorophenyl)piperidin-4-ol.

Physical properties of 1-Benzyl-4-(4-chlorophenyl)-4-piperidinol: (1)ACD/LogP: 2.83; (2)ACD/LogD (pH 5.5): 0.61; (3)ACD/LogD (pH 7.4): 2.3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 24.56; (6)ACD/KOC (pH 5.5): 4.95; (7)ACD/KOC (pH 7.4): 243.07; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.617; (12)Molar Refractivity: 86.62 cm3; (13)Molar Volume: 247.3 cm3; (14)Surface Tension: 52.2 dyne/cm; (15)Density: 1.22 g/cm3; (16)Flash Point: 224.5 °C; (17)Enthalpy of Vaporization: 74.39 kJ/mol; (18)Boiling Point: 447.5 °C at 760 mmHg; (19)Vapour Pressure: 8.58E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C3(O)CCN(Cc2ccccc2)CC3
(2)InChI: InChI=1/C18H20ClNO/c19-17-8-6-16(7-9-17)18(21)10-12-20(13-11-18)14-15-4-2-1-3-5-15/h1-9,21H,10-14H2
(3)InChIKey: NGJGWNDBSJUZQU-UHFFFAOYAS