1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid hydrochloride

1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid hydrochloride

CAS: 79547-78-7

Formula: C26H30ClFN2O2

SMILES: Cl.CC1CN(CCC1(C(O)=O)C1=CC=CC=C1)C1CCC(CC1)(C#N)C1=CC=C(F)C=C1

IUPAC: 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid hydrochloride

InChI: InChI=1/C26H29FN2O2.ClH/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20;/h2-10,19,23H,11-17H2,1H3,(H,30,31);1H

Composition: C (68.34%), H (6.62%), Cl (7.76%), F (4.16%), N (6.13%), O (7.00%)

Molar Mass: 456.99

Atom Count: 62

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	456.1979841
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OICFWWJHIMKBCD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.48
Topological Polar Surface Area	64.33
Polarizability	45.77
Ring Count	4
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99%	<7 Days	79547-78-7		$660.33$660.33