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

C102H98Cl8F2N8O10 — CID 157221387

IUPAC1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methoxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(O)C(=O)N2CCN(c3ccc(C)cc3Cl)[C@H](c3ccc(Cl)cc3)C2)cc1.COc1cccc(C(O)C(=O)N2CCN(c3ccc(C)cc3Cl)[C@H](c3ccc(Cl)cc3)C2)c1.Cc1ccc(N2CCN(C(=O)C(O)c3ccc(F)cc3)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)C(O)c3cccc(F)c3)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/2C26H26Cl2N2O3.2C25H23Cl2FN2O2/c1-17-3-12-23(22(28)15-17)30-14-13-29(16-24(30)18-4-8-20(27)9-5-18)26(32)25(31)19-6-10-21(33-2)11-7-19;1-17-6-11-23(22(28)14-17)30-13-12-29(16-24(30)18-7-9-20(27)10-8-18)26(32)25(31)19-4-3-5-21(15-19)33-2;1-16-2-11-22(21(27)14-16)30-13-12-29(15-23(30)17-3-7-19(26)8-4-17)25(32)24(31)18-5-9-20(28)10-6-18;1-16-5-10-22(21(27)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(28)14-18/h3-12,15,24-25,31H,13-14,16H2,1-2H3;3-11,14-15,24-25,31H,12-13,16H2,1-2H3;2-11,14,23-24,31H,12-13,15H2,1H3;2-10,13-14,23-24,31H,11-12,15H2,1H3/t2*24-,25?;2*23-,24?/m0000/s1
InChIKeyATANNNWLLXURAU-VKLVGBOISA-N
MW1917.57 g/mol
LogP22.00
Rot. Bonds18

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

1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methoxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-methoxyphenyl)ethanone (PubChem CID 157221387) has the molecular formula C102H98Cl8F2N8O10 and a molecular weight of 1917.57 g/mol. Its IUPAC name is 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methoxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methoxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-methoxyphenyl)ethanone
PubChem CID157221387
Molecular FormulaC102H98Cl8F2N8O10
Molecular Weight1917.57 g/mol
Exact Mass1912.49
IUPAC Name1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methoxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(O)C(=O)N2CCN(c3ccc(C)cc3Cl)[C@H](c3ccc(Cl)cc3)C2)cc1.COc1cccc(C(O)C(=O)N2CCN(c3ccc(C)cc3Cl)[C@H](c3ccc(Cl)cc3)C2)c1.Cc1ccc(N2CCN(C(=O)C(O)c3ccc(F)cc3)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)C(O)c3cccc(F)c3)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/2C26H26Cl2N2O3.2C25H23Cl2FN2O2/c1-17-3-12-23(22(28)15-17)30-14-13-29(16-24(30)18-4-8-20(27)9-5-18)26(32)25(31)19-6-10-21(33-2)11-7-19;1-17-6-11-23(22(28)14-17)30-13-12-29(16-24(30)18-7-9-20(27)10-8-18)26(32)25(31)19-4-3-5-21(15-19)33-2;1-16-2-11-22(21(27)14-16)30-13-12-29(15-23(30)17-3-7-19(26)8-4-17)25(32)24(31)18-5-9-20(28)10-6-18;1-16-5-10-22(21(27)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(28)14-18/h3-12,15,24-25,31H,13-14,16H2,1-2H3;3-11,14-15,24-25,31H,12-13,16H2,1-2H3;2-11,14,23-24,31H,12-13,15H2,1H3;2-10,13-14,23-24,31H,11-12,15H2,1H3/t2*24-,25?;2*23-,24?/m0000/s1
InChIKeyATANNNWLLXURAU-VKLVGBOISA-N
XLogP22.00
TPSA193.58 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001917.57
LogP ≤ 522.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methoxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-methoxyphenyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methoxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methoxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-methoxyphenyl)ethanone (CID 157221387) is 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methoxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methoxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methoxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-methoxyphenyl)ethanone is COc1ccc(C(O)C(=O)N2CCN(c3ccc(C)cc3Cl)[C@H](c3ccc(Cl)cc3)C2)cc1.COc1cccc(C(O)C(=O)N2CCN(c3ccc(C)cc3Cl)[C@H](c3ccc(Cl)cc3)C2)c1.Cc1ccc(N2CCN(C(=O)C(O)c3ccc(F)cc3)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C(=O)C(O)c3cccc(F)c3)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-(3-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methoxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-methoxyphenyl)ethanone?
The InChIKey is ATANNNWLLXURAU-VKLVGBOISA-N. The full InChI is InChI=1S/2C26H26Cl2N2O3.2C25H23Cl2FN2O2/c1-17-3-12-23(22(28)15-17)30-14-13-29(16-24(30)18-4-8-20(27)9-5-18)26(32)25(31)19-6-10-21(33-2)11-7-19;1-17-6-11-23(22(28)14-17)30-13-12-29(16-24(30)18-7-9-20(27)10-8-18)26(32)25(31)19-4-3-5-21(15-19)33-2;1-16-2-11-22(21(27)14-16)30-13-12-29(15-23(30)17-3-7-19(26)8-4-17)25(32)24(31)18-5-9-20(28)10-6-18;1-16-5-10-22(21(27)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(28)14-18/h3-12,15,24-25,31H,13-14,16H2,1-2H3;3-11,14-15,24-25,31H,12-13,16H2,1-2H3;2-11,14,23-24,31H,12-13,15H2,1H3;2-10,13-14,23-24,31H,11-12,15H2,1H3/t2*24-,25?;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-(3-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methoxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-methoxyphenyl)ethanone?
1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methoxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-methoxyphenyl)ethanone has a molecular weight of 1917.57 g/mol, XLogP of 22.00, 18 rotatable bonds, 4 hydrogen bond donors, and 14 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-(3-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-methoxyphenyl)ethanone;1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 157221387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).