1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone

C101H98Cl8N8O8 — CID 159217332

IUPAC1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(c3ccc(C)cc3Cl)C(c3ccc(Cl)cc3)C2)cc1.Cc1ccc(N2CCN(C(=O)Cc3ccc(O)cc3)CC2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)Cc3cccc(O)c3)CC2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)Cc3ccccc3O)CC2c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C26H26Cl2N2O2.3C25H24Cl2N2O2/c1-18-3-12-24(23(28)15-18)30-14-13-29(17-25(30)20-6-8-21(27)9-7-20)26(31)16-19-4-10-22(32-2)11-5-19;1-17-2-11-23(22(27)14-17)29-13-12-28(16-24(29)19-5-7-20(26)8-6-19)25(31)15-18-3-9-21(30)10-4-18;1-17-5-10-23(22(27)13-17)29-12-11-28(16-24(29)19-6-8-20(26)9-7-19)25(31)15-18-3-2-4-21(30)14-18;1-17-6-11-22(21(27)14-17)29-13-12-28(16-23(29)18-7-9-20(26)10-8-18)25(31)15-19-4-2-3-5-24(19)30/h3-12,15,25H,13-14,16-17H2,1-2H3;2-11,14,24,30H,12-13,15-16H2,1H3;2-10,13-14,24,30H,11-12,15-16H2,1H3;2-11,14,23,30H,12-13,15-16H2,1H3
InChIKeyKRFVIKMIHVKHKE-UHFFFAOYSA-N
MW1835.57 g/mol
LogP22.86
Rot. Bonds17

About 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone

1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 159217332) has the molecular formula C101H98Cl8N8O8 and a molecular weight of 1835.57 g/mol. Its IUPAC name is 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID159217332
Molecular FormulaC101H98Cl8N8O8
Molecular Weight1835.57 g/mol
Exact Mass1830.50
IUPAC Name1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(c3ccc(C)cc3Cl)C(c3ccc(Cl)cc3)C2)cc1.Cc1ccc(N2CCN(C(=O)Cc3ccc(O)cc3)CC2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)Cc3cccc(O)c3)CC2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)Cc3ccccc3O)CC2c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C26H26Cl2N2O2.3C25H24Cl2N2O2/c1-18-3-12-24(23(28)15-18)30-14-13-29(17-25(30)20-6-8-21(27)9-7-20)26(31)16-19-4-10-22(32-2)11-5-19;1-17-2-11-23(22(27)14-17)29-13-12-28(16-24(29)19-5-7-20(26)8-6-19)25(31)15-18-3-9-21(30)10-4-18;1-17-5-10-23(22(27)13-17)29-12-11-28(16-24(29)19-6-8-20(26)9-7-19)25(31)15-18-3-2-4-21(30)14-18;1-17-6-11-22(21(27)14-17)29-13-12-28(16-23(29)18-7-9-20(26)10-8-18)25(31)15-19-4-2-3-5-24(19)30/h3-12,15,25H,13-14,16-17H2,1-2H3;2-11,14,24,30H,12-13,15-16H2,1H3;2-10,13-14,24,30H,11-12,15-16H2,1H3;2-11,14,23,30H,12-13,15-16H2,1H3
InChIKeyKRFVIKMIHVKHKE-UHFFFAOYSA-N
XLogP22.86
TPSA164.12 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001835.57
LogP ≤ 522.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)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-(2-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone (CID 159217332) is 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCN(c3ccc(C)cc3Cl)C(c3ccc(Cl)cc3)C2)cc1.Cc1ccc(N2CCN(C(=O)Cc3ccc(O)cc3)CC2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)Cc3cccc(O)c3)CC2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)Cc3ccccc3O)CC2c2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is KRFVIKMIHVKHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N2O2.3C25H24Cl2N2O2/c1-18-3-12-24(23(28)15-18)30-14-13-29(17-25(30)20-6-8-21(27)9-7-20)26(31)16-19-4-10-22(32-2)11-5-19;1-17-2-11-23(22(27)14-17)29-13-12-28(16-24(29)19-5-7-20(26)8-6-19)25(31)15-18-3-9-21(30)10-4-18;1-17-5-10-23(22(27)13-17)29-12-11-28(16-24(29)19-6-8-20(26)9-7-19)25(31)15-18-3-2-4-21(30)14-18;1-17-6-11-22(21(27)14-17)29-13-12-28(16-23(29)18-7-9-20(26)10-8-18)25(31)15-19-4-2-3-5-24(19)30/h3-12,15,25H,13-14,16-17H2,1-2H3;2-11,14,24,30H,12-13,15-16H2,1H3;2-10,13-14,24,30H,11-12,15-16H2,1H3;2-11,14,23,30H,12-13,15-16H2,1H3.
What are the key properties of 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 1835.57 g/mol, XLogP of 22.86, 17 rotatable bonds, 3 hydrogen bond donors, and 12 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-(2-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 159217332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).