2-(3-chloro-4-hydroxyphenyl)-1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3,4-difluorophenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone

C105H104Cl9F2N9O5 — CID 158045688

About 2-(3-chloro-4-hydroxyphenyl)-1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3,4-difluorophenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone

2-(3-chloro-4-hydroxyphenyl)-1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3,4-difluorophenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone (PubChem CID 158045688) has the molecular formula C105H104Cl9F2N9O5 and a molecular weight of 1929.12 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)-1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3,4-difluorophenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

• Compound Name: 2-(3-chloro-4-hydroxyphenyl)-1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3,4-difluorophenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone
• PubChem CID: 158045688
• Molecular Formula: C105H104Cl9F2N9O5
• Molecular Weight: 1929.12 g/mol
• Exact Mass: 1923.53
• IUPAC Name: 2-(3-chloro-4-hydroxyphenyl)-1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3,4-difluorophenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone
• SMILES: Cc1cc(C)c(CC(=O)N2CCN(c3ccc(C)cc3Cl)C(c3ccc(Cl)cc3)C2)c(C)c1.Cc1ccc(N2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)Cc3ccc(N(C)C)cc3)CC2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)Cc3ccc(O)c(Cl)c3)CC2c2ccc(Cl)cc2)c(Cl)c1
• InChI: InChI=1S/C28H30Cl2N2O.C27H29Cl2N3O.C25H23Cl3N2O2.C25H22Cl2F2N2O/c1-18-5-10-26(25(30)15-18)32-12-11-31(17-27(32)22-6-8-23(29)9-7-22)28(33)16-24-20(3)13-19(2)14-21(24)4;1-19-4-13-25(24(29)16-19)32-15-14-31(18-26(32)21-7-9-22(28)10-8-21)27(33)17-20-5-11-23(12-6-20)30(2)3;1-16-2-8-22(20(27)12-16)30-11-10-29(15-23(30)18-4-6-19(26)7-5-18)25(32)14-17-3-9-24(31)21(28)13-17;1-16-2-9-23(20(27)12-16)31-11-10-30(15-24(31)18-4-6-19(26)7-5-18)25(32)14-17-3-8-21(28)22(29)13-17/h5-10,13-15,27H,11-12,16-17H2,1-4H3;4-13,16,26H,14-15,17-18H2,1-3H3;2-9,12-13,23,31H,10-11,14-15H2,1H3;2-9,12-13,24H,10-11,14-15H2,1H3
• InChIKey: FIWNNHRQBILUAR-UHFFFAOYSA-N
• XLogP: 25.37
• TPSA: 117.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1929.12
LogP ≤ 5	25.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3,4-difluorophenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone?

The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3,4-difluorophenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone (CID 158045688) is 2-(3-chloro-4-hydroxyphenyl)-1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3,4-difluorophenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone.

What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)-1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3,4-difluorophenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone?

The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)-1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3,4-difluorophenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(CC(=O)N2CCN(c3ccc(C)cc3Cl)C(c3ccc(Cl)cc3)C2)c(C)c1.Cc1ccc(N2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)Cc3ccc(N(C)C)cc3)CC2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)Cc3ccc(O)c(Cl)c3)CC2c2ccc(Cl)cc2)c(Cl)c1.

What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)-1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3,4-difluorophenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone?

The InChIKey is FIWNNHRQBILUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2N2O.C27H29Cl2N3O.C25H23Cl3N2O2.C25H22Cl2F2N2O/c1-18-5-10-26(25(30)15-18)32-12-11-31(17-27(32)22-6-8-23(29)9-7-22)28(33)16-24-20(3)13-19(2)14-21(24)4;1-19-4-13-25(24(29)16-19)32-15-14-31(18-26(32)21-7-9-22(28)10-8-21)27(33)17-20-5-11-23(12-6-20)30(2)3;1-16-2-8-22(20(27)12-16)30-11-10-29(15-23(30)18-4-6-19(26)7-5-18)25(32)14-17-3-9-24(31)21(28)13-17;1-16-2-9-23(20(27)12-16)31-11-10-30(15-24(31)18-4-6-19(26)7-5-18)25(32)14-17-3-8-21(28)22(29)13-17/h5-10,13-15,27H,11-12,16-17H2,1-4H3;4-13,16,26H,14-15,17-18H2,1-3H3;2-9,12-13,23,31H,10-11,14-15H2,1H3;2-9,12-13,24H,10-11,14-15H2,1H3.

What are the key properties of 2-(3-chloro-4-hydroxyphenyl)-1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3,4-difluorophenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone?

2-(3-chloro-4-hydroxyphenyl)-1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3,4-difluorophenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 1929.12 g/mol, XLogP of 25.37, 17 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-4-hydroxyphenyl)-1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3,4-difluorophenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 158045688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).