1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]piperidin-2-one;1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]pyrrolidin-2-one;[4-(4-benzylpiperidin-1-yl)-1-(3-chlorophenyl)cyclohexyl]methanamine;[4-(4-methylpiperidin-1-yl)-1-phenylcyclohexyl]methanamine

C89H129Cl3N10O2 — CID 158021751

IUPAC1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]piperidin-2-one;1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]pyrrolidin-2-one;[4-(4-benzylpiperidin-1-yl)-1-(3-chlorophenyl)cyclohexyl]methanamine;[4-(4-methylpiperidin-1-yl)-1-phenylcyclohexyl]methanamine
SMILESCC1CCN(C2CCC(CN)(c3ccccc3)CC2)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCC(Cc3ccccc3)CC2)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCC(N3CCCC3=O)CC2)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCC(N3CCCCC3=O)CC2)CC1
InChIInChI=1S/C25H33ClN2.C23H34ClN3O.C22H32ClN3O.C19H30N2/c26-23-8-4-7-22(18-23)25(19-27)13-9-24(10-14-25)28-15-11-21(12-16-28)17-20-5-2-1-3-6-20;24-19-5-3-4-18(16-19)23(17-25)11-7-20(8-12-23)26-14-9-21(10-15-26)27-13-2-1-6-22(27)28;23-18-4-1-3-17(15-18)22(16-24)10-6-19(7-11-22)25-13-8-20(9-14-25)26-12-2-5-21(26)27;1-16-9-13-21(14-10-16)18-7-11-19(15-20,12-8-18)17-5-3-2-4-6-17/h1-8,18,21,24H,9-17,19,27H2;3-5,16,20-21H,1-2,6-15,17,25H2;1,3-4,15,19-20H,2,5-14,16,24H2;2-6,16,18H,7-15,20H2,1H3
InChIKeyFGDKJWKUHPKXMX-UHFFFAOYSA-N
MW1477.44 g/mol
LogP16.51
Rot. Bonds16

About 1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]piperidin-2-one;1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]pyrrolidin-2-one;[4-(4-benzylpiperidin-1-yl)-1-(3-chlorophenyl)cyclohexyl]methanamine;[4-(4-methylpiperidin-1-yl)-1-phenylcyclohexyl]methanamine

1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]piperidin-2-one;1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]pyrrolidin-2-one;[4-(4-benzylpiperidin-1-yl)-1-(3-chlorophenyl)cyclohexyl]methanamine;[4-(4-methylpiperidin-1-yl)-1-phenylcyclohexyl]methanamine (PubChem CID 158021751) has the molecular formula C89H129Cl3N10O2 and a molecular weight of 1477.44 g/mol. Its IUPAC name is 1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]piperidin-2-one;1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]pyrrolidin-2-one;[4-(4-benzylpiperidin-1-yl)-1-(3-chlorophenyl)cyclohexyl]methanamine;[4-(4-methylpiperidin-1-yl)-1-phenylcyclohexyl]methanamine.

Molecular Properties

Compound Name1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]piperidin-2-one;1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]pyrrolidin-2-one;[4-(4-benzylpiperidin-1-yl)-1-(3-chlorophenyl)cyclohexyl]methanamine;[4-(4-methylpiperidin-1-yl)-1-phenylcyclohexyl]methanamine
PubChem CID158021751
Molecular FormulaC89H129Cl3N10O2
Molecular Weight1477.44 g/mol
Exact Mass1474.94
IUPAC Name1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]piperidin-2-one;1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]pyrrolidin-2-one;[4-(4-benzylpiperidin-1-yl)-1-(3-chlorophenyl)cyclohexyl]methanamine;[4-(4-methylpiperidin-1-yl)-1-phenylcyclohexyl]methanamine
SMILESCC1CCN(C2CCC(CN)(c3ccccc3)CC2)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCC(Cc3ccccc3)CC2)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCC(N3CCCC3=O)CC2)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCC(N3CCCCC3=O)CC2)CC1
InChIInChI=1S/C25H33ClN2.C23H34ClN3O.C22H32ClN3O.C19H30N2/c26-23-8-4-7-22(18-23)25(19-27)13-9-24(10-14-25)28-15-11-21(12-16-28)17-20-5-2-1-3-6-20;24-19-5-3-4-18(16-19)23(17-25)11-7-20(8-12-23)26-14-9-21(10-15-26)27-13-2-1-6-22(27)28;23-18-4-1-3-17(15-18)22(16-24)10-6-19(7-11-22)25-13-8-20(9-14-25)26-12-2-5-21(26)27;1-16-9-13-21(14-10-16)18-7-11-19(15-20,12-8-18)17-5-3-2-4-6-17/h1-8,18,21,24H,9-17,19,27H2;3-5,16,20-21H,1-2,6-15,17,25H2;1,3-4,15,19-20H,2,5-14,16,24H2;2-6,16,18H,7-15,20H2,1H3
InChIKeyFGDKJWKUHPKXMX-UHFFFAOYSA-N
XLogP16.51
TPSA157.66 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001477.44
LogP ≤ 516.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]piperidin-2-one;1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]pyrrolidin-2-one;[4-(4-benzylpiperidin-1-yl)-1-(3-chlorophenyl)cyclohexyl]methanamine;[4-(4-methylpiperidin-1-yl)-1-phenylcyclohexyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]piperidin-2-one;1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]pyrrolidin-2-one;[4-(4-benzylpiperidin-1-yl)-1-(3-chlorophenyl)cyclohexyl]methanamine;[4-(4-methylpiperidin-1-yl)-1-phenylcyclohexyl]methanamine?
The IUPAC name of 1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]piperidin-2-one;1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]pyrrolidin-2-one;[4-(4-benzylpiperidin-1-yl)-1-(3-chlorophenyl)cyclohexyl]methanamine;[4-(4-methylpiperidin-1-yl)-1-phenylcyclohexyl]methanamine (CID 158021751) is 1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]piperidin-2-one;1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]pyrrolidin-2-one;[4-(4-benzylpiperidin-1-yl)-1-(3-chlorophenyl)cyclohexyl]methanamine;[4-(4-methylpiperidin-1-yl)-1-phenylcyclohexyl]methanamine.
What is the SMILES notation for 1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]piperidin-2-one;1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]pyrrolidin-2-one;[4-(4-benzylpiperidin-1-yl)-1-(3-chlorophenyl)cyclohexyl]methanamine;[4-(4-methylpiperidin-1-yl)-1-phenylcyclohexyl]methanamine?
The canonical SMILES for 1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]piperidin-2-one;1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]pyrrolidin-2-one;[4-(4-benzylpiperidin-1-yl)-1-(3-chlorophenyl)cyclohexyl]methanamine;[4-(4-methylpiperidin-1-yl)-1-phenylcyclohexyl]methanamine is CC1CCN(C2CCC(CN)(c3ccccc3)CC2)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCC(Cc3ccccc3)CC2)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCC(N3CCCC3=O)CC2)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCC(N3CCCCC3=O)CC2)CC1.
What is the InChIKey of 1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]piperidin-2-one;1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]pyrrolidin-2-one;[4-(4-benzylpiperidin-1-yl)-1-(3-chlorophenyl)cyclohexyl]methanamine;[4-(4-methylpiperidin-1-yl)-1-phenylcyclohexyl]methanamine?
The InChIKey is FGDKJWKUHPKXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN2.C23H34ClN3O.C22H32ClN3O.C19H30N2/c26-23-8-4-7-22(18-23)25(19-27)13-9-24(10-14-25)28-15-11-21(12-16-28)17-20-5-2-1-3-6-20;24-19-5-3-4-18(16-19)23(17-25)11-7-20(8-12-23)26-14-9-21(10-15-26)27-13-2-1-6-22(27)28;23-18-4-1-3-17(15-18)22(16-24)10-6-19(7-11-22)25-13-8-20(9-14-25)26-12-2-5-21(26)27;1-16-9-13-21(14-10-16)18-7-11-19(15-20,12-8-18)17-5-3-2-4-6-17/h1-8,18,21,24H,9-17,19,27H2;3-5,16,20-21H,1-2,6-15,17,25H2;1,3-4,15,19-20H,2,5-14,16,24H2;2-6,16,18H,7-15,20H2,1H3.
What are the key properties of 1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]piperidin-2-one;1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]pyrrolidin-2-one;[4-(4-benzylpiperidin-1-yl)-1-(3-chlorophenyl)cyclohexyl]methanamine;[4-(4-methylpiperidin-1-yl)-1-phenylcyclohexyl]methanamine?
1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]piperidin-2-one;1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]pyrrolidin-2-one;[4-(4-benzylpiperidin-1-yl)-1-(3-chlorophenyl)cyclohexyl]methanamine;[4-(4-methylpiperidin-1-yl)-1-phenylcyclohexyl]methanamine has a molecular weight of 1477.44 g/mol, XLogP of 16.51, 16 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]piperidin-2-one;1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]pyrrolidin-2-one;[4-(4-benzylpiperidin-1-yl)-1-(3-chlorophenyl)cyclohexyl]methanamine;[4-(4-methylpiperidin-1-yl)-1-phenylcyclohexyl]methanamine is sourced from PubChem (CID 158021751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).