The 2-diphenylmethylpiperidine hydrochloride, with its CAS registry number 5807-81-8, has the molecular formula of C18H22ClN. As to its usage, it is usually applied in the pharmaceutic intermediates.
The physical properties of this chemical are as below: (1)ACD/LogP: 4.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 1.56; (5)#H bond acceptors: 1; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 12.03; (9)Flash Point: 193.6 °C; (10)Enthalpy of Vaporization: 65.93 kJ/mol.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES:Cl.c1ccccc1C(C2CCCCN2)c3ccccc3
(2)InChI:InChI=1/C18H21N.ClH/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17;/h1-6,9-12,17-19H,7-8,13-14H2;1H
(3)InChIKey:NTADPDIPKMRRQV-UHFFFAOYAK
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