1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(1-cyclopropylethenyl)piperazine;1-(1-cyclopropylethenyl)-4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine;1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]piperidin-4-ol;4-[4-[2,6-dimethyl-4-[4-(oxan-4-yl)piperidin-1-yl]hept-5-en-2-yl]phenyl]morpholine

C101H154ClFN8O4 — CID 167651923

About 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(1-cyclopropylethenyl)piperazine;1-(1-cyclopropylethenyl)-4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine;1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]piperidin-4-ol;4-[4-[2,6-dimethyl-4-[4-(oxan-4-yl)piperidin-1-yl]hept-5-en-2-yl]phenyl]morpholine

1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(1-cyclopropylethenyl)piperazine;1-(1-cyclopropylethenyl)-4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine;1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]piperidin-4-ol;4-[4-[2,6-dimethyl-4-[4-(oxan-4-yl)piperidin-1-yl]hept-5-en-2-yl]phenyl]morpholine (PubChem CID 167651923) has the molecular formula C101H154ClFN8O4 and a molecular weight of 1598.85 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(1-cyclopropylethenyl)piperazine;1-(1-cyclopropylethenyl)-4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine;1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]piperidin-4-ol;4-[4-[2,6-dimethyl-4-[4-(oxan-4-yl)piperidin-1-yl]hept-5-en-2-yl]phenyl]morpholine.

Molecular Properties

• Compound Name: 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(1-cyclopropylethenyl)piperazine;1-(1-cyclopropylethenyl)-4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine;1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]piperidin-4-ol;4-[4-[2,6-dimethyl-4-[4-(oxan-4-yl)piperidin-1-yl]hept-5-en-2-yl]phenyl]morpholine
• PubChem CID: 167651923
• Molecular Formula: C101H154ClFN8O4
• Molecular Weight: 1598.85 g/mol
• Exact Mass: 1597.18
• IUPAC Name: 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(1-cyclopropylethenyl)piperazine;1-(1-cyclopropylethenyl)-4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine;1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]piperidin-4-ol;4-[4-[2,6-dimethyl-4-[4-(oxan-4-yl)piperidin-1-yl]hept-5-en-2-yl]phenyl]morpholine
• SMILES: C=C(C1CC1)N1CCN(C(C=C(C)C)CC(C)(C)c2ccc(Cl)cc2)CC1.C=C(C1CC1)N1CCN(C(C=C(C)C)CC(C)(C)c2ccc(F)cc2)CC1.CC(C)=CC(CC(C)(C)c1ccc(N2CCOCC2)cc1)N1CCC(C2CCOCC2)CC1.CC(C)=CC(CC(C)(C)c1ccc(N2CCOCC2)cc1)N1CCC(O)CC1
• InChI: InChI=1S/C29H46N2O2.C24H35ClN2.C24H35FN2.C24H38N2O2/c1-23(2)21-28(30-13-9-24(10-14-30)25-11-17-32-18-12-25)22-29(3,4)26-5-7-27(8-6-26)31-15-19-33-20-16-31;2*1-18(2)16-23(17-24(4,5)21-8-10-22(25)11-9-21)27-14-12-26(13-15-27)19(3)20-6-7-20;1-19(2)17-22(25-11-9-23(27)10-12-25)18-24(3,4)20-5-7-21(8-6-20)26-13-15-28-16-14-26/h5-8,21,24-25,28H,9-20,22H2,1-4H3;2*8-11,16,20,23H,3,6-7,12-15,17H2,1-2,4-5H3;5-8,17,22-23,27H,9-16,18H2,1-4H3
• InChIKey: QRWIXKQISDCNMU-UHFFFAOYSA-N
• XLogP: 20.90
• TPSA: 73.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 27
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1598.85
LogP ≤ 5	20.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(1-cyclopropylethenyl)piperazine;1-(1-cyclopropylethenyl)-4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine;1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]piperidin-4-ol;4-[4-[2,6-dimethyl-4-[4-(oxan-4-yl)piperidin-1-yl]hept-5-en-2-yl]phenyl]morpholine?

The IUPAC name of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(1-cyclopropylethenyl)piperazine;1-(1-cyclopropylethenyl)-4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine;1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]piperidin-4-ol;4-[4-[2,6-dimethyl-4-[4-(oxan-4-yl)piperidin-1-yl]hept-5-en-2-yl]phenyl]morpholine (CID 167651923) is 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(1-cyclopropylethenyl)piperazine;1-(1-cyclopropylethenyl)-4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine;1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]piperidin-4-ol;4-[4-[2,6-dimethyl-4-[4-(oxan-4-yl)piperidin-1-yl]hept-5-en-2-yl]phenyl]morpholine.

What is the SMILES notation for 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(1-cyclopropylethenyl)piperazine;1-(1-cyclopropylethenyl)-4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine;1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]piperidin-4-ol;4-[4-[2,6-dimethyl-4-[4-(oxan-4-yl)piperidin-1-yl]hept-5-en-2-yl]phenyl]morpholine?

The canonical SMILES for 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(1-cyclopropylethenyl)piperazine;1-(1-cyclopropylethenyl)-4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine;1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]piperidin-4-ol;4-[4-[2,6-dimethyl-4-[4-(oxan-4-yl)piperidin-1-yl]hept-5-en-2-yl]phenyl]morpholine is C=C(C1CC1)N1CCN(C(C=C(C)C)CC(C)(C)c2ccc(Cl)cc2)CC1.C=C(C1CC1)N1CCN(C(C=C(C)C)CC(C)(C)c2ccc(F)cc2)CC1.CC(C)=CC(CC(C)(C)c1ccc(N2CCOCC2)cc1)N1CCC(C2CCOCC2)CC1.CC(C)=CC(CC(C)(C)c1ccc(N2CCOCC2)cc1)N1CCC(O)CC1.

What is the InChIKey of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(1-cyclopropylethenyl)piperazine;1-(1-cyclopropylethenyl)-4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine;1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]piperidin-4-ol;4-[4-[2,6-dimethyl-4-[4-(oxan-4-yl)piperidin-1-yl]hept-5-en-2-yl]phenyl]morpholine?

The InChIKey is QRWIXKQISDCNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46N2O2.C24H35ClN2.C24H35FN2.C24H38N2O2/c1-23(2)21-28(30-13-9-24(10-14-30)25-11-17-32-18-12-25)22-29(3,4)26-5-7-27(8-6-26)31-15-19-33-20-16-31;2*1-18(2)16-23(17-24(4,5)21-8-10-22(25)11-9-21)27-14-12-26(13-15-27)19(3)20-6-7-20;1-19(2)17-22(25-11-9-23(27)10-12-25)18-24(3,4)20-5-7-21(8-6-20)26-13-15-28-16-14-26/h5-8,21,24-25,28H,9-20,22H2,1-4H3;2*8-11,16,20,23H,3,6-7,12-15,17H2,1-2,4-5H3;5-8,17,22-23,27H,9-16,18H2,1-4H3.

What are the key properties of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(1-cyclopropylethenyl)piperazine;1-(1-cyclopropylethenyl)-4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine;1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]piperidin-4-ol;4-[4-[2,6-dimethyl-4-[4-(oxan-4-yl)piperidin-1-yl]hept-5-en-2-yl]phenyl]morpholine?

1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(1-cyclopropylethenyl)piperazine;1-(1-cyclopropylethenyl)-4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine;1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]piperidin-4-ol;4-[4-[2,6-dimethyl-4-[4-(oxan-4-yl)piperidin-1-yl]hept-5-en-2-yl]phenyl]morpholine has a molecular weight of 1598.85 g/mol, XLogP of 20.90, 27 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(1-cyclopropylethenyl)piperazine;1-(1-cyclopropylethenyl)-4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine;1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]piperidin-4-ol;4-[4-[2,6-dimethyl-4-[4-(oxan-4-yl)piperidin-1-yl]hept-5-en-2-yl]phenyl]morpholine is sourced from PubChem (CID 167651923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).