1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-chlorophenyl)-2-hydroxyethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)propan-1-one;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)phenyl]ethanone

C108H103Cl9N8O9 — CID 162208738

IUPAC1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-chlorophenyl)-2-hydroxyethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)propan-1-one;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)phenyl]ethanone
SMILESCOc1ccccc1-c1ccc(CC(=O)N2CCN(c3ccc(C)cc3Cl)C(c3ccc(Cl)cc3)C2)cc1.Cc1ccc(N2CCN(C(=O)C(C)c3ccc(O)cc3)CC2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)C(O)c3ccc(O)cc3)CC2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)C(O)c3cccc(Cl)c3)CC2c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C32H30Cl2N2O2.C26H26Cl2N2O2.C25H23Cl3N2O2.C25H24Cl2N2O3/c1-22-7-16-29(28(34)19-22)36-18-17-35(21-30(36)25-12-14-26(33)15-13-25)32(37)20-23-8-10-24(11-9-23)27-5-3-4-6-31(27)38-2;1-17-3-12-24(23(28)15-17)30-14-13-29(16-25(30)20-4-8-21(27)9-5-20)26(32)18(2)19-6-10-22(31)11-7-19;1-16-5-10-22(21(28)13-16)30-12-11-29(15-23(30)17-6-8-19(26)9-7-17)25(32)24(31)18-3-2-4-20(27)14-18;1-16-2-11-22(21(27)14-16)29-13-12-28(15-23(29)17-3-7-19(26)8-4-17)25(32)24(31)18-5-9-20(30)10-6-18/h3-16,19,30H,17-18,20-21H2,1-2H3;3-12,15,18,25,31H,13-14,16H2,1-2H3;2-10,13-14,23-24,31H,11-12,15H2,1H3;2-11,14,23-24,30-31H,12-13,15H2,1H3
InChIKeyZSNZYRGENPKIMC-UHFFFAOYSA-N
MW1976.14 g/mol
LogP25.02
Rot. Bonds18

About 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-chlorophenyl)-2-hydroxyethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)propan-1-one;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)phenyl]ethanone

1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-chlorophenyl)-2-hydroxyethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)propan-1-one;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)phenyl]ethanone (PubChem CID 162208738) has the molecular formula C108H103Cl9N8O9 and a molecular weight of 1976.14 g/mol. Its IUPAC name is 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-chlorophenyl)-2-hydroxyethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)propan-1-one;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-chlorophenyl)-2-hydroxyethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)propan-1-one;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)phenyl]ethanone
PubChem CID162208738
Molecular FormulaC108H103Cl9N8O9
Molecular Weight1976.14 g/mol
Exact Mass1970.50
IUPAC Name1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-chlorophenyl)-2-hydroxyethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)propan-1-one;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)phenyl]ethanone
SMILESCOc1ccccc1-c1ccc(CC(=O)N2CCN(c3ccc(C)cc3Cl)C(c3ccc(Cl)cc3)C2)cc1.Cc1ccc(N2CCN(C(=O)C(C)c3ccc(O)cc3)CC2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)C(O)c3ccc(O)cc3)CC2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)C(O)c3cccc(Cl)c3)CC2c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C32H30Cl2N2O2.C26H26Cl2N2O2.C25H23Cl3N2O2.C25H24Cl2N2O3/c1-22-7-16-29(28(34)19-22)36-18-17-35(21-30(36)25-12-14-26(33)15-13-25)32(37)20-23-8-10-24(11-9-23)27-5-3-4-6-31(27)38-2;1-17-3-12-24(23(28)15-17)30-14-13-29(16-25(30)20-4-8-21(27)9-5-20)26(32)18(2)19-6-10-22(31)11-7-19;1-16-5-10-22(21(28)13-16)30-12-11-29(15-23(30)17-6-8-19(26)9-7-17)25(32)24(31)18-3-2-4-20(27)14-18;1-16-2-11-22(21(27)14-16)29-13-12-28(15-23(29)17-3-7-19(26)8-4-17)25(32)24(31)18-5-9-20(30)10-6-18/h3-16,19,30H,17-18,20-21H2,1-2H3;3-12,15,18,25,31H,13-14,16H2,1-2H3;2-10,13-14,23-24,31H,11-12,15H2,1H3;2-11,14,23-24,30-31H,12-13,15H2,1H3
InChIKeyZSNZYRGENPKIMC-UHFFFAOYSA-N
XLogP25.02
TPSA184.35 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001976.14
LogP ≤ 525.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-chlorophenyl)-2-hydroxyethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)propan-1-one;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-chlorophenyl)-2-hydroxyethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)propan-1-one;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)phenyl]ethanone?
The IUPAC name of 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-chlorophenyl)-2-hydroxyethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)propan-1-one;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)phenyl]ethanone (CID 162208738) is 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-chlorophenyl)-2-hydroxyethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)propan-1-one;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-chlorophenyl)-2-hydroxyethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)propan-1-one;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-chlorophenyl)-2-hydroxyethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)propan-1-one;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)phenyl]ethanone is COc1ccccc1-c1ccc(CC(=O)N2CCN(c3ccc(C)cc3Cl)C(c3ccc(Cl)cc3)C2)cc1.Cc1ccc(N2CCN(C(=O)C(C)c3ccc(O)cc3)CC2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)C(O)c3ccc(O)cc3)CC2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)C(O)c3cccc(Cl)c3)CC2c2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-chlorophenyl)-2-hydroxyethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)propan-1-one;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)phenyl]ethanone?
The InChIKey is ZSNZYRGENPKIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30Cl2N2O2.C26H26Cl2N2O2.C25H23Cl3N2O2.C25H24Cl2N2O3/c1-22-7-16-29(28(34)19-22)36-18-17-35(21-30(36)25-12-14-26(33)15-13-25)32(37)20-23-8-10-24(11-9-23)27-5-3-4-6-31(27)38-2;1-17-3-12-24(23(28)15-17)30-14-13-29(16-25(30)20-4-8-21(27)9-5-20)26(32)18(2)19-6-10-22(31)11-7-19;1-16-5-10-22(21(28)13-16)30-12-11-29(15-23(30)17-6-8-19(26)9-7-17)25(32)24(31)18-3-2-4-20(27)14-18;1-16-2-11-22(21(27)14-16)29-13-12-28(15-23(29)17-3-7-19(26)8-4-17)25(32)24(31)18-5-9-20(30)10-6-18/h3-16,19,30H,17-18,20-21H2,1-2H3;3-12,15,18,25,31H,13-14,16H2,1-2H3;2-10,13-14,23-24,31H,11-12,15H2,1H3;2-11,14,23-24,30-31H,12-13,15H2,1H3.
What are the key properties of 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-chlorophenyl)-2-hydroxyethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)propan-1-one;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)phenyl]ethanone?
1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-chlorophenyl)-2-hydroxyethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)propan-1-one;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)phenyl]ethanone has a molecular weight of 1976.14 g/mol, XLogP of 25.02, 18 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-chlorophenyl)-2-hydroxyethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)propan-1-one;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)phenyl]ethanone is sourced from PubChem (CID 162208738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).