1-Benzyl-4-cyano-4-phenylpiperidine hydrochloride

Molecular Structure of 1-Benzyl-4-cyano-4-phenylpiperidine hydrochloride (CAS NO.71258-18-9):

IUPAC Name: 1-benzyl-4-phenylpiperidine-4-carbonitrile chloride 
Empirical Formula: C₁₉H₂₁ClN₂
Molecular Weight: 312.8364
ACD/LogP: 2.93
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 2
ACD/LogD (pH 7.4): 3
ACD/BCF (pH 5.5): 5
ACD/BCF (pH 7.4): 80
ACD/KOC (pH 5.5): 48
ACD/KOC (pH 7.4): 753
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 27.03 Å²
Flash Point: 230.3 °C
Enthalpy of Vaporization: 73.11 kJ/mol
Boiling Point: 457.2 °C at 760 mmHg
Vapour Pressure: 9.2E-09 mmHg at 25°C
EINECS: 275-305-7
Melting point: 257-261 °C
Product Categories: API intermediates
InChI
InChI=1/C19H20N2/c20-16-19(18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17/h1-10H,11-15H2
Smiles
N#CC1(CCN(CC1)Cc1ccccc1)c1ccccc1

Hazard Codes: Xn,Xi
Risk Statements: 20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 45
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

  1-Benzyl-4-cyano-4-phenylpiperidine hydrochloride , with CAS number of 71258-18-9, can be called 1-Benzyl-4-phenylpiperidine-4-carbonitrile hydrochloride (1:1) ; 4-piperidinecarbonitrile, 4-phenyl-1-(phenylmethyl)-, hydrochloride (1:1) ; 1-Benzyl-4-cyano-4-phenylpiperidine HCl ; 1-Benzyl-4-cyano-4-phenylpiperidine Hydrochloride ; 1-Benzyl-4-cyano-4-phenylpiperidine hydrochloride 99% ; 1-Benzyl-4-cyano-4-phenylpiperidinehydrochloride ; 1-benzyl-4-phenylpiperidine-4-carbonitrile monohydrochloride . It is a white to beige powder.