1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(5-chloro-2-methoxyphenyl)-2-methylpiperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3,4-dichlorophenyl)piperazine;1-(2-chlorophenyl)-4-(4-ethylcyclohexyl)piperazine

C56H76Cl4N6O — CID 159504521

About 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(5-chloro-2-methoxyphenyl)-2-methylpiperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3,4-dichlorophenyl)piperazine;1-(2-chlorophenyl)-4-(4-ethylcyclohexyl)piperazine

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(5-chloro-2-methoxyphenyl)-2-methylpiperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3,4-dichlorophenyl)piperazine;1-(2-chlorophenyl)-4-(4-ethylcyclohexyl)piperazine (PubChem CID 159504521) has the molecular formula C56H76Cl4N6O and a molecular weight of 991.08 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(5-chloro-2-methoxyphenyl)-2-methylpiperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3,4-dichlorophenyl)piperazine;1-(2-chlorophenyl)-4-(4-ethylcyclohexyl)piperazine.

Molecular Properties

• Compound Name: 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(5-chloro-2-methoxyphenyl)-2-methylpiperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3,4-dichlorophenyl)piperazine;1-(2-chlorophenyl)-4-(4-ethylcyclohexyl)piperazine
• PubChem CID: 159504521
• Molecular Formula: C56H76Cl4N6O
• Molecular Weight: 991.08 g/mol
• Exact Mass: 988.48
• IUPAC Name: 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(5-chloro-2-methoxyphenyl)-2-methylpiperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3,4-dichlorophenyl)piperazine;1-(2-chlorophenyl)-4-(4-ethylcyclohexyl)piperazine
• SMILES: CCC1CCC(N2CCN(c3ccccc3Cl)CC2)CC1.COc1ccc(Cl)cc1N1CCN(CC2CC3C=CC2C3)C(C)C1.Clc1ccc(N2CCN(CC3CC4C=CC3C4)CC2)cc1Cl
• InChI: InChI=1S/C20H27ClN2O.C18H22Cl2N2.C18H27ClN2/c1-14-12-23(19-11-18(21)5-6-20(19)24-2)8-7-22(14)13-17-10-15-3-4-16(17)9-15;19-17-4-3-16(11-18(17)20)22-7-5-21(6-8-22)12-15-10-13-1-2-14(15)9-13;1-2-15-7-9-16(10-8-15)20-11-13-21(14-12-20)18-6-4-3-5-17(18)19/h3-6,11,14-17H,7-10,12-13H2,1-2H3;1-4,11,13-15H,5-10,12H2;3-6,15-16H,2,7-14H2,1H3
• InChIKey: LZUSRFORYNPASV-UHFFFAOYSA-N
• XLogP: 12.83
• TPSA: 28.67 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	991.08
LogP ≤ 5	12.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(5-chloro-2-methoxyphenyl)-2-methylpiperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3,4-dichlorophenyl)piperazine;1-(2-chlorophenyl)-4-(4-ethylcyclohexyl)piperazine?

The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(5-chloro-2-methoxyphenyl)-2-methylpiperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3,4-dichlorophenyl)piperazine;1-(2-chlorophenyl)-4-(4-ethylcyclohexyl)piperazine (CID 159504521) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(5-chloro-2-methoxyphenyl)-2-methylpiperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3,4-dichlorophenyl)piperazine;1-(2-chlorophenyl)-4-(4-ethylcyclohexyl)piperazine.

What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(5-chloro-2-methoxyphenyl)-2-methylpiperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3,4-dichlorophenyl)piperazine;1-(2-chlorophenyl)-4-(4-ethylcyclohexyl)piperazine?

The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(5-chloro-2-methoxyphenyl)-2-methylpiperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3,4-dichlorophenyl)piperazine;1-(2-chlorophenyl)-4-(4-ethylcyclohexyl)piperazine is CCC1CCC(N2CCN(c3ccccc3Cl)CC2)CC1.COc1ccc(Cl)cc1N1CCN(CC2CC3C=CC2C3)C(C)C1.Clc1ccc(N2CCN(CC3CC4C=CC3C4)CC2)cc1Cl.

What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(5-chloro-2-methoxyphenyl)-2-methylpiperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3,4-dichlorophenyl)piperazine;1-(2-chlorophenyl)-4-(4-ethylcyclohexyl)piperazine?

The InChIKey is LZUSRFORYNPASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O.C18H22Cl2N2.C18H27ClN2/c1-14-12-23(19-11-18(21)5-6-20(19)24-2)8-7-22(14)13-17-10-15-3-4-16(17)9-15;19-17-4-3-16(11-18(17)20)22-7-5-21(6-8-22)12-15-10-13-1-2-14(15)9-13;1-2-15-7-9-16(10-8-15)20-11-13-21(14-12-20)18-6-4-3-5-17(18)19/h3-6,11,14-17H,7-10,12-13H2,1-2H3;1-4,11,13-15H,5-10,12H2;3-6,15-16H,2,7-14H2,1H3.

What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(5-chloro-2-methoxyphenyl)-2-methylpiperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3,4-dichlorophenyl)piperazine;1-(2-chlorophenyl)-4-(4-ethylcyclohexyl)piperazine?

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(5-chloro-2-methoxyphenyl)-2-methylpiperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3,4-dichlorophenyl)piperazine;1-(2-chlorophenyl)-4-(4-ethylcyclohexyl)piperazine has a molecular weight of 991.08 g/mol, XLogP of 12.83, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(5-chloro-2-methoxyphenyl)-2-methylpiperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3,4-dichlorophenyl)piperazine;1-(2-chlorophenyl)-4-(4-ethylcyclohexyl)piperazine is sourced from PubChem (CID 159504521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).