1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,3-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,6-difluorophenyl)-2-hydroxyethanone

C100H88Cl8F8N8O8 — CID 160591364

About 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,3-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,6-difluorophenyl)-2-hydroxyethanone

1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,3-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,6-difluorophenyl)-2-hydroxyethanone (PubChem CID 160591364) has the molecular formula C100H88Cl8F8N8O8 and a molecular weight of 1965.46 g/mol. Its IUPAC name is 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,3-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,6-difluorophenyl)-2-hydroxyethanone.

Molecular Properties

• Compound Name: 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,3-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,6-difluorophenyl)-2-hydroxyethanone
• PubChem CID: 160591364
• Molecular Formula: C100H88Cl8F8N8O8
• Molecular Weight: 1965.46 g/mol
• Exact Mass: 1960.41
• IUPAC Name: 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,3-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,6-difluorophenyl)-2-hydroxyethanone
• SMILES: Cc1ccc(N2CCN(C(=O)C(O)c3c(F)cccc3F)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)C(O)c3cc(F)ccc3F)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)C(O)c3ccc(F)cc3F)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)C(O)c3cccc(F)c3F)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1
• InChI: InChI=1S/4C25H22Cl2F2N2O2/c1-15-2-9-22(20(27)12-15)31-11-10-30(14-23(31)16-3-5-17(26)6-4-16)25(33)24(32)19-13-18(28)7-8-21(19)29;1-15-2-9-22(20(27)12-15)31-11-10-30(14-23(31)16-3-5-17(26)6-4-16)25(33)24(32)19-8-7-18(28)13-21(19)29;1-15-5-10-21(18(27)13-15)31-12-11-30(14-22(31)16-6-8-17(26)9-7-16)25(33)24(32)23-19(28)3-2-4-20(23)29;1-15-5-10-21(19(27)13-15)31-12-11-30(14-22(31)16-6-8-17(26)9-7-16)25(33)24(32)18-3-2-4-20(28)23(18)29/h2*2-9,12-13,23-24,32H,10-11,14H2,1H3;2*2-10,13,22,24,32H,11-12,14H2,1H3/t2*23-,24?;2*22-,24?/m0000/s1
• InChIKey: RDBIZRRVGMSMRY-JAULFHSGSA-N
• XLogP: 22.81
• TPSA: 175.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1965.46
LogP ≤ 5	22.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,3-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,6-difluorophenyl)-2-hydroxyethanone?

The IUPAC name of 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,3-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,6-difluorophenyl)-2-hydroxyethanone (CID 160591364) is 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,3-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,6-difluorophenyl)-2-hydroxyethanone.

What is the SMILES notation for 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,3-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,6-difluorophenyl)-2-hydroxyethanone?

The canonical SMILES for 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,3-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,6-difluorophenyl)-2-hydroxyethanone is Cc1ccc(N2CCN(C(=O)C(O)c3c(F)cccc3F)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)C(O)c3cc(F)ccc3F)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)C(O)c3ccc(F)cc3F)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)C(O)c3cccc(F)c3F)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.

What is the InChIKey of 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,3-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,6-difluorophenyl)-2-hydroxyethanone?

The InChIKey is RDBIZRRVGMSMRY-JAULFHSGSA-N. The full InChI is InChI=1S/4C25H22Cl2F2N2O2/c1-15-2-9-22(20(27)12-15)31-11-10-30(14-23(31)16-3-5-17(26)6-4-16)25(33)24(32)19-13-18(28)7-8-21(19)29;1-15-2-9-22(20(27)12-15)31-11-10-30(14-23(31)16-3-5-17(26)6-4-16)25(33)24(32)19-8-7-18(28)13-21(19)29;1-15-5-10-21(18(27)13-15)31-12-11-30(14-22(31)16-6-8-17(26)9-7-16)25(33)24(32)23-19(28)3-2-4-20(23)29;1-15-5-10-21(19(27)13-15)31-12-11-30(14-22(31)16-6-8-17(26)9-7-16)25(33)24(32)18-3-2-4-20(28)23(18)29/h2*2-9,12-13,23-24,32H,10-11,14H2,1H3;2*2-10,13,22,24,32H,11-12,14H2,1H3/t2*23-,24?;2*22-,24?/m0000/s1.

What are the key properties of 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,3-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,6-difluorophenyl)-2-hydroxyethanone?

1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,3-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,6-difluorophenyl)-2-hydroxyethanone has a molecular weight of 1965.46 g/mol, XLogP of 22.81, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,3-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,6-difluorophenyl)-2-hydroxyethanone is sourced from PubChem (CID 160591364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).