1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-hydroxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methylphenyl)ethanone;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one

C102H99Cl8FN8O9 — CID 158180283

About 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-hydroxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methylphenyl)ethanone;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one

1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-hydroxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methylphenyl)ethanone;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one (PubChem CID 158180283) has the molecular formula C102H99Cl8FN8O9 and a molecular weight of 1883.58 g/mol. Its IUPAC name is 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-hydroxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methylphenyl)ethanone;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one.

Molecular Properties

• Compound Name: 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-hydroxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methylphenyl)ethanone;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one
• PubChem CID: 158180283
• Molecular Formula: C102H99Cl8FN8O9
• Molecular Weight: 1883.58 g/mol
• Exact Mass: 1878.50
• IUPAC Name: 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-hydroxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methylphenyl)ethanone;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one
• SMILES: Cc1ccc(N2CCN(C(=O)C(O)c3cccc(O)c3)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)C(O)c3ccccc3F)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)[C@@](C)(O)c3ccccc3)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.Cc1cccc(C(O)C(=O)N2CCN(c3ccc(C)cc3Cl)[C@H](c3ccc(Cl)cc3)C2)c1
• InChI: InChI=1S/2C26H26Cl2N2O2.C25H23Cl2FN2O2.C25H24Cl2N2O3/c1-17-4-3-5-20(14-17)25(31)26(32)29-12-13-30(23-11-6-18(2)15-22(23)28)24(16-29)19-7-9-21(27)10-8-19;1-18-8-13-23(22(28)16-18)30-15-14-29(17-24(30)19-9-11-21(27)12-10-19)25(31)26(2,32)20-6-4-3-5-7-20;1-16-6-11-22(20(27)14-16)30-13-12-29(15-23(30)17-7-9-18(26)10-8-17)25(32)24(31)19-4-2-3-5-21(19)28;1-16-5-10-22(21(27)13-16)29-12-11-28(15-23(29)17-6-8-19(26)9-7-17)25(32)24(31)18-3-2-4-20(30)14-18/h3-11,14-15,24-25,31H,12-13,16H2,1-2H3;3-13,16,24,32H,14-15,17H2,1-2H3;2-11,14,23-24,31H,12-13,15H2,1H3;2-10,13-14,23-24,30-31H,11-12,15H2,1H3/t24-,25?;24-,26-;2*23-,24?/m0000/s1
• InChIKey: FYMRIFLHWWRWIK-HHMYPNQUSA-N
• XLogP: 22.03
• TPSA: 195.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1883.58
LogP ≤ 5	22.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-hydroxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methylphenyl)ethanone;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one?

The IUPAC name of 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-hydroxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methylphenyl)ethanone;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one (CID 158180283) is 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-hydroxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methylphenyl)ethanone;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one.

What is the SMILES notation for 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-hydroxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methylphenyl)ethanone;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one?

The canonical SMILES for 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-hydroxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methylphenyl)ethanone;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one is Cc1ccc(N2CCN(C(=O)C(O)c3cccc(O)c3)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)C(O)c3ccccc3F)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)[C@@](C)(O)c3ccccc3)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.Cc1cccc(C(O)C(=O)N2CCN(c3ccc(C)cc3Cl)[C@H](c3ccc(Cl)cc3)C2)c1.

What is the InChIKey of 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-hydroxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methylphenyl)ethanone;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one?

The InChIKey is FYMRIFLHWWRWIK-HHMYPNQUSA-N. The full InChI is InChI=1S/2C26H26Cl2N2O2.C25H23Cl2FN2O2.C25H24Cl2N2O3/c1-17-4-3-5-20(14-17)25(31)26(32)29-12-13-30(23-11-6-18(2)15-22(23)28)24(16-29)19-7-9-21(27)10-8-19;1-18-8-13-23(22(28)16-18)30-15-14-29(17-24(30)19-9-11-21(27)12-10-19)25(31)26(2,32)20-6-4-3-5-7-20;1-16-6-11-22(20(27)14-16)30-13-12-29(15-23(30)17-7-9-18(26)10-8-17)25(32)24(31)19-4-2-3-5-21(19)28;1-16-5-10-22(21(27)13-16)29-12-11-28(15-23(29)17-6-8-19(26)9-7-17)25(32)24(31)18-3-2-4-20(30)14-18/h3-11,14-15,24-25,31H,12-13,16H2,1-2H3;3-13,16,24,32H,14-15,17H2,1-2H3;2-11,14,23-24,31H,12-13,15H2,1H3;2-10,13-14,23-24,30-31H,11-12,15H2,1H3/t24-,25?;24-,26-;2*23-,24?/m0000/s1.

What are the key properties of 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-hydroxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methylphenyl)ethanone;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one?

1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-hydroxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methylphenyl)ethanone;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one has a molecular weight of 1883.58 g/mol, XLogP of 22.03, 16 rotatable bonds, 5 hydrogen bond donors, and 13 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-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-hydroxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methylphenyl)ethanone;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one is sourced from PubChem (CID 158180283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).