(2R)-1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperazine;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol

C135H145Cl10N11O7 — CID 160815100

IUPAC(2R)-1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperazine;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol
SMILESCOc1ccc(CN2CCC(CN3CCN(c4ccc(C)cc4Cl)[C@H](c4ccc(Cl)cc4)C3)CC2)cc1.Cc1ccc(N2CCN(C(=O)[C@@](C)(O)c3ccccc3)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.Cc1ccc(N2CCN(C[C@@](C)(O)c3ccccc3)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C[C@](C)(O)c3ccccc3)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C31H37Cl2N3O.2C26H26Cl2N2O2.2C26H28Cl2N2O/c1-23-3-12-30(29(33)19-23)36-18-17-35(22-31(36)26-6-8-27(32)9-7-26)21-25-13-15-34(16-14-25)20-24-4-10-28(37-2)11-5-24;2*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;2*1-19-8-13-24(23(28)16-19)30-15-14-29(17-25(30)20-9-11-22(27)12-10-20)18-26(2,31)21-6-4-3-5-7-21/h3-12,19,25,31H,13-18,20-22H2,1-2H3;2*3-13,16,24,32H,14-15,17H2,1-2H3;2*3-13,16,25,31H,14-15,17-18H2,1-2H3/t31-;24-,26+;24-,26-;25-,26+;25-,26-/m00000/s1
InChIKeySEUJSQTXKSHRHE-URCYLFMASA-N
MW2388.24 g/mol
LogP30.43
Rot. Bonds25

About (2R)-1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperazine;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol

(2R)-1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperazine;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol (PubChem CID 160815100) has the molecular formula C135H145Cl10N11O7 and a molecular weight of 2388.24 g/mol. Its IUPAC name is (2R)-1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperazine;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperazine;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol
PubChem CID160815100
Molecular FormulaC135H145Cl10N11O7
Molecular Weight2388.24 g/mol
Exact Mass2381.82
IUPAC Name(2R)-1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperazine;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol
SMILESCOc1ccc(CN2CCC(CN3CCN(c4ccc(C)cc4Cl)[C@H](c4ccc(Cl)cc4)C3)CC2)cc1.Cc1ccc(N2CCN(C(=O)[C@@](C)(O)c3ccccc3)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.Cc1ccc(N2CCN(C[C@@](C)(O)c3ccccc3)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C[C@](C)(O)c3ccccc3)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C31H37Cl2N3O.2C26H26Cl2N2O2.2C26H28Cl2N2O/c1-23-3-12-30(29(33)19-23)36-18-17-35(22-31(36)26-6-8-27(32)9-7-26)21-25-13-15-34(16-14-25)20-24-4-10-28(37-2)11-5-24;2*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;2*1-19-8-13-24(23(28)16-19)30-15-14-29(17-25(30)20-9-11-22(27)12-10-20)18-26(2,31)21-6-4-3-5-7-21/h3-12,19,25,31H,13-18,20-22H2,1-2H3;2*3-13,16,24,32H,14-15,17H2,1-2H3;2*3-13,16,25,31H,14-15,17-18H2,1-2H3/t31-;24-,26+;24-,26-;25-,26+;25-,26-/m00000/s1
InChIKeySEUJSQTXKSHRHE-URCYLFMASA-N
XLogP30.43
TPSA159.93 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds25
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002388.24
LogP ≤ 530.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze (2R)-1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperazine;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperazine;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol?
The IUPAC name of (2R)-1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperazine;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol (CID 160815100) is (2R)-1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperazine;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol.
What is the SMILES notation for (2R)-1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperazine;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol?
The canonical SMILES for (2R)-1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperazine;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol is COc1ccc(CN2CCC(CN3CCN(c4ccc(C)cc4Cl)[C@H](c4ccc(Cl)cc4)C3)CC2)cc1.Cc1ccc(N2CCN(C(=O)[C@@](C)(O)c3ccccc3)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.Cc1ccc(N2CCN(C[C@@](C)(O)c3ccccc3)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.Cc1ccc(N2CCN(C[C@](C)(O)c3ccccc3)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of (2R)-1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperazine;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol?
The InChIKey is SEUJSQTXKSHRHE-URCYLFMASA-N. The full InChI is InChI=1S/C31H37Cl2N3O.2C26H26Cl2N2O2.2C26H28Cl2N2O/c1-23-3-12-30(29(33)19-23)36-18-17-35(22-31(36)26-6-8-27(32)9-7-26)21-25-13-15-34(16-14-25)20-24-4-10-28(37-2)11-5-24;2*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;2*1-19-8-13-24(23(28)16-19)30-15-14-29(17-25(30)20-9-11-22(27)12-10-20)18-26(2,31)21-6-4-3-5-7-21/h3-12,19,25,31H,13-18,20-22H2,1-2H3;2*3-13,16,24,32H,14-15,17H2,1-2H3;2*3-13,16,25,31H,14-15,17-18H2,1-2H3/t31-;24-,26+;24-,26-;25-,26+;25-,26-/m00000/s1.
What are the key properties of (2R)-1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperazine;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol?
(2R)-1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperazine;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol has a molecular weight of 2388.24 g/mol, XLogP of 30.43, 25 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperazine;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylpropan-1-one;(2R)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol;(2S)-1-[(3R)-4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-phenylpropan-2-ol is sourced from PubChem (CID 160815100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).