1-[2-(4-tert-butylcyclohexyl)-4-piperidin-1-yl-phenyl]-4-(oxan-4-ylmethyl)piperazine hydrochloride

Systemtic Name: 1-[2-(4-tert-butylcyclohexyl)-4-piperidin-1-yl-phenyl]-4-(oxan-4-ylmethyl)piperazine hydrochloride Openeye Name: 1-[2-(4-tert-butylcyclohexyl)-4-(1-piperidyl)phenyl]-4-(tetrahydropyran-4-ylmethyl)piperazine hydrochloride CAS Name: 1-[2-(4-tert-butylcyclohexyl)-4-(1-piperidinyl)phenyl]-4-(4-oxanylmethyl)piperazine hydrochloride IUPAC Name: 1-[2-(4-tert-butylcyclohexyl)-4-piperidin-1-ylphenyl]-4-(oxan-4-ylmethyl)piperazine hydrochloride Traditional Name: 1-[2-(4-tert-butylcyclohexyl)-4-piperidino-phenyl]-4-(tetrahydropyran-4-ylmethyl)piperazine hydrochloride Formula: C31H52ClN3O MolecularWeight: 518.21708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C2=C(C=CC(=C2)N3CCCCC3)N4CCN(CC4)CC5CCOCC5.Cl

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C2=C(C=CC(=C2)N3CCCCC3)N4CCN(CC4)CC5CCOCC5.Cl

InChI

InChI=1S/C31H51N3O.ClH/c1-31(2,3)27-9-7-26(8-10-27)29-23-28(33-15-5-4-6-16-33)11-12-30(29)34-19-17-32(18-20-34)24-25-13-21-35-22-14-25;/h11-12,23,25-27H,4-10,13-22,24H2,1-3H3;1H