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2KV

Summary
Name:1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one
Formula:C18 H25 Cl N2 O
Formal charge:0
Formula weight:320.857 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one
OpenEye OEToolkits1.7.61-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cccc(c1)C3(CCC(N2C(=O)CCCC2)CC3)CN
InChIInChI1.03InChI=1S/C18H25ClN2O/c19-15-5-3-4-14(12-15)18(13-20)9-7-16(8-10-18)21-11-2-1-6-17(21)22/h3-5,12,16H,1-2,6-11,13,20H2/t16-,18-
InChIKeyInChI1.03HPAJLBAQCKXNNT-SAABIXHNSA-N
SMILES_CANONICALCACTVS3.385NC[C@@]1(CC[C@@H](CC1)N2CCCCC2=O)c3cccc(Cl)c3
SMILESCACTVS3.385NC[C]1(CC[CH](CC1)N2CCCCC2=O)c3cccc(Cl)c3
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(cc(c1)Cl)C2(CCC(CC2)N3CCCCC3=O)CN
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)Cl)C2(CCC(CC2)N3CCCCC3=O)CN

224931

PDB entries from 2024-09-11

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