(2-chlorophenyl)-[4-[(2R)-2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]piperazin-1-yl]methanone

C27H28Cl2N2O2 — CID 92769697

About (2-chlorophenyl)-[4-[(2R)-2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]piperazin-1-yl]methanone

(2-chlorophenyl)-[4-[(2R)-2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]piperazin-1-yl]methanone (PubChem CID 92769697) has the molecular formula C27H28Cl2N2O2 and a molecular weight of 483.44 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-[(2R)-2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-chlorophenyl)-[4-[(2R)-2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]piperazin-1-yl]methanone
• PubChem CID: 92769697
• Molecular Formula: C27H28Cl2N2O2
• Molecular Weight: 483.44 g/mol
• Exact Mass: 482.15
• IUPAC Name: (2-chlorophenyl)-[4-[(2R)-2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]piperazin-1-yl]methanone
• SMILES: Cc1cccc(CO[C@@H](CN2CCN(C(=O)c3ccccc3Cl)CC2)c2ccc(Cl)cc2)c1
• InChI: InChI=1S/C27H28Cl2N2O2/c1-20-5-4-6-21(17-20)19-33-26(22-9-11-23(28)12-10-22)18-30-13-15-31(16-14-30)27(32)24-7-2-3-8-25(24)29/h2-12,17,26H,13-16,18-19H2,1H3/t26-/m0/s1
• InChIKey: FXKNYAHLWJGVCR-SANMLTNESA-N
• XLogP: 6.02
• TPSA: 32.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.44
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-[(2R)-2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]piperazin-1-yl]methanone?

The IUPAC name of (2-chlorophenyl)-[4-[(2R)-2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]piperazin-1-yl]methanone (CID 92769697) is (2-chlorophenyl)-[4-[(2R)-2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]piperazin-1-yl]methanone.

What is the SMILES notation for (2-chlorophenyl)-[4-[(2R)-2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]piperazin-1-yl]methanone?

The canonical SMILES for (2-chlorophenyl)-[4-[(2R)-2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]piperazin-1-yl]methanone is Cc1cccc(CO[C@@H](CN2CCN(C(=O)c3ccccc3Cl)CC2)c2ccc(Cl)cc2)c1.

What is the InChIKey of (2-chlorophenyl)-[4-[(2R)-2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]piperazin-1-yl]methanone?

The InChIKey is FXKNYAHLWJGVCR-SANMLTNESA-N. The full InChI is InChI=1S/C27H28Cl2N2O2/c1-20-5-4-6-21(17-20)19-33-26(22-9-11-23(28)12-10-22)18-30-13-15-31(16-14-30)27(32)24-7-2-3-8-25(24)29/h2-12,17,26H,13-16,18-19H2,1H3/t26-/m0/s1.

What are the key properties of (2-chlorophenyl)-[4-[(2R)-2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]piperazin-1-yl]methanone?

(2-chlorophenyl)-[4-[(2R)-2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]piperazin-1-yl]methanone has a molecular weight of 483.44 g/mol, XLogP of 6.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chlorophenyl)-[4-[(2R)-2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 92769697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).