1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-pyrrolidin-1-ylpiperidine;N-(3-fluoropentyl)-6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-amine;1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-piperidin-1-ylpiperidine

C69H107ClF3N5 — CID 159086493

IUPAC1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-pyrrolidin-1-ylpiperidine;N-(3-fluoropentyl)-6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-amine;1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-piperidin-1-ylpiperidine
SMILESCC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(N2CCCC2)CC1.CC(C)=CC(CC(C)(C)c1ccc(F)cc1)N1CCC(N2CCCCC2)CC1.CCC(F)CCNC(C=C(C)C)CC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C25H39FN2.C24H37ClN2.C20H31F2N/c1-20(2)18-24(19-25(3,4)21-8-10-22(26)11-9-21)28-16-12-23(13-17-28)27-14-6-5-7-15-27;1-19(2)17-23(18-24(3,4)20-7-9-21(25)10-8-20)27-15-11-22(12-16-27)26-13-5-6-14-26;1-6-17(21)11-12-23-19(13-15(2)3)14-20(4,5)16-7-9-18(22)10-8-16/h8-11,18,23-24H,5-7,12-17,19H2,1-4H3;7-10,17,22-23H,5-6,11-16,18H2,1-4H3;7-10,13,17,19,23H,6,11-12,14H2,1-5H3
InChIKeyKBMSLEFUWXZCNM-UHFFFAOYSA-N
MW1099.10 g/mol
LogP17.24
Rot. Bonds21

About 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-pyrrolidin-1-ylpiperidine;N-(3-fluoropentyl)-6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-amine;1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-piperidin-1-ylpiperidine

1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-pyrrolidin-1-ylpiperidine;N-(3-fluoropentyl)-6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-amine;1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-piperidin-1-ylpiperidine (PubChem CID 159086493) has the molecular formula C69H107ClF3N5 and a molecular weight of 1099.10 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-pyrrolidin-1-ylpiperidine;N-(3-fluoropentyl)-6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-amine;1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-pyrrolidin-1-ylpiperidine;N-(3-fluoropentyl)-6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-amine;1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-piperidin-1-ylpiperidine
PubChem CID159086493
Molecular FormulaC69H107ClF3N5
Molecular Weight1099.10 g/mol
Exact Mass1097.82
IUPAC Name1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-pyrrolidin-1-ylpiperidine;N-(3-fluoropentyl)-6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-amine;1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-piperidin-1-ylpiperidine
SMILESCC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(N2CCCC2)CC1.CC(C)=CC(CC(C)(C)c1ccc(F)cc1)N1CCC(N2CCCCC2)CC1.CCC(F)CCNC(C=C(C)C)CC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C25H39FN2.C24H37ClN2.C20H31F2N/c1-20(2)18-24(19-25(3,4)21-8-10-22(26)11-9-21)28-16-12-23(13-17-28)27-14-6-5-7-15-27;1-19(2)17-23(18-24(3,4)20-7-9-21(25)10-8-20)27-15-11-22(12-16-27)26-13-5-6-14-26;1-6-17(21)11-12-23-19(13-15(2)3)14-20(4,5)16-7-9-18(22)10-8-16/h8-11,18,23-24H,5-7,12-17,19H2,1-4H3;7-10,17,22-23H,5-6,11-16,18H2,1-4H3;7-10,13,17,19,23H,6,11-12,14H2,1-5H3
InChIKeyKBMSLEFUWXZCNM-UHFFFAOYSA-N
XLogP17.24
TPSA24.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001099.10
LogP ≤ 517.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-pyrrolidin-1-ylpiperidine;N-(3-fluoropentyl)-6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-amine;1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-piperidin-1-ylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-pyrrolidin-1-ylpiperidine;N-(3-fluoropentyl)-6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-amine;1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-pyrrolidin-1-ylpiperidine;N-(3-fluoropentyl)-6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-amine;1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-piperidin-1-ylpiperidine (CID 159086493) is 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-pyrrolidin-1-ylpiperidine;N-(3-fluoropentyl)-6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-amine;1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-pyrrolidin-1-ylpiperidine;N-(3-fluoropentyl)-6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-amine;1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-pyrrolidin-1-ylpiperidine;N-(3-fluoropentyl)-6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-amine;1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-piperidin-1-ylpiperidine is CC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(N2CCCC2)CC1.CC(C)=CC(CC(C)(C)c1ccc(F)cc1)N1CCC(N2CCCCC2)CC1.CCC(F)CCNC(C=C(C)C)CC(C)(C)c1ccc(F)cc1.
What is the InChIKey of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-pyrrolidin-1-ylpiperidine;N-(3-fluoropentyl)-6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-amine;1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-piperidin-1-ylpiperidine?
The InChIKey is KBMSLEFUWXZCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39FN2.C24H37ClN2.C20H31F2N/c1-20(2)18-24(19-25(3,4)21-8-10-22(26)11-9-21)28-16-12-23(13-17-28)27-14-6-5-7-15-27;1-19(2)17-23(18-24(3,4)20-7-9-21(25)10-8-20)27-15-11-22(12-16-27)26-13-5-6-14-26;1-6-17(21)11-12-23-19(13-15(2)3)14-20(4,5)16-7-9-18(22)10-8-16/h8-11,18,23-24H,5-7,12-17,19H2,1-4H3;7-10,17,22-23H,5-6,11-16,18H2,1-4H3;7-10,13,17,19,23H,6,11-12,14H2,1-5H3.
What are the key properties of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-pyrrolidin-1-ylpiperidine;N-(3-fluoropentyl)-6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-amine;1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-piperidin-1-ylpiperidine?
1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-pyrrolidin-1-ylpiperidine;N-(3-fluoropentyl)-6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-amine;1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-piperidin-1-ylpiperidine has a molecular weight of 1099.10 g/mol, XLogP of 17.24, 21 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-pyrrolidin-1-ylpiperidine;N-(3-fluoropentyl)-6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-amine;1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 159086493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).