1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-fluorophenyl)piperazine

C70H92Cl2F2N8 — CID 159751711

About 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-fluorophenyl)piperazine

1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-fluorophenyl)piperazine (PubChem CID 159751711) has the molecular formula C70H92Cl2F2N8 and a molecular weight of 1154.46 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-fluorophenyl)piperazine.

Molecular Properties

• Compound Name: 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-fluorophenyl)piperazine
• PubChem CID: 159751711
• Molecular Formula: C70H92Cl2F2N8
• Molecular Weight: 1154.46 g/mol
• Exact Mass: 1152.68
• IUPAC Name: 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-fluorophenyl)piperazine
• SMILES: Clc1cccc(N2CCN(C3CC4CCC3C4)CC2)c1.Clc1cccc(N2CCN(CC3CC4C=CC3C4)CC2)c1.Fc1ccccc1N1CCN(C2CC3CCC2C3)CC1.Fc1ccccc1N1CCN(CC2CC3C=CC2C3)CC1
• InChI: InChI=1S/C18H23ClN2.C18H23FN2.C17H23ClN2.C17H23FN2/c19-17-2-1-3-18(12-17)21-8-6-20(7-9-21)13-16-11-14-4-5-15(16)10-14;19-17-3-1-2-4-18(17)21-9-7-20(8-10-21)13-16-12-14-5-6-15(16)11-14;18-15-2-1-3-16(12-15)19-6-8-20(9-7-19)17-11-13-4-5-14(17)10-13;18-15-3-1-2-4-16(15)19-7-9-20(10-8-19)17-12-13-5-6-14(17)11-13/h1-5,12,14-16H,6-11,13H2;1-6,14-16H,7-13H2;1-3,12-14,17H,4-11H2;1-4,13-14,17H,5-12H2
• InChIKey: NDSRXNQQONQYCN-UHFFFAOYSA-N
• XLogP: 13.62
• TPSA: 25.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1154.46
LogP ≤ 5	13.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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]heptanyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-fluorophenyl)piperazine?

The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-fluorophenyl)piperazine (CID 159751711) is 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-fluorophenyl)piperazine.

What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-fluorophenyl)piperazine?

The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-fluorophenyl)piperazine is Clc1cccc(N2CCN(C3CC4CCC3C4)CC2)c1.Clc1cccc(N2CCN(CC3CC4C=CC3C4)CC2)c1.Fc1ccccc1N1CCN(C2CC3CCC2C3)CC1.Fc1ccccc1N1CCN(CC2CC3C=CC2C3)CC1.

What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-fluorophenyl)piperazine?

The InChIKey is NDSRXNQQONQYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2.C18H23FN2.C17H23ClN2.C17H23FN2/c19-17-2-1-3-18(12-17)21-8-6-20(7-9-21)13-16-11-14-4-5-15(16)10-14;19-17-3-1-2-4-18(17)21-9-7-20(8-10-21)13-16-12-14-5-6-15(16)11-14;18-15-2-1-3-16(12-15)19-6-8-20(9-7-19)17-11-13-4-5-14(17)10-13;18-15-3-1-2-4-16(15)19-7-9-20(10-8-19)17-12-13-5-6-14(17)11-13/h1-5,12,14-16H,6-11,13H2;1-6,14-16H,7-13H2;1-3,12-14,17H,4-11H2;1-4,13-14,17H,5-12H2.

What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-fluorophenyl)piperazine?

1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-fluorophenyl)piperazine has a molecular weight of 1154.46 g/mol, XLogP of 13.62, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 159751711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).