(2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone

C24H21Cl3N2O2 — CID 59261834

IUPAC(2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone
SMILESO=C([C@H](O)c1ccccc1)N1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H21Cl3N2O2/c25-18-8-6-16(7-9-18)22-15-28(24(31)23(30)17-4-2-1-3-5-17)12-13-29(22)21-11-10-19(26)14-20(21)27/h1-11,14,22-23,30H,12-13,15H2/t22-,23+/m0/s1
InChIKeyYWDUGPCERSSKMM-XZOQPEGZSA-N
MW475.80 g/mol
LogP5.77
Rot. Bonds4

About (2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone

(2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone (PubChem CID 59261834) has the molecular formula C24H21Cl3N2O2 and a molecular weight of 475.80 g/mol. Its IUPAC name is (2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name(2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone
PubChem CID59261834
Molecular FormulaC24H21Cl3N2O2
Molecular Weight475.80 g/mol
Exact Mass474.07
IUPAC Name(2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone
SMILESO=C([C@H](O)c1ccccc1)N1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H21Cl3N2O2/c25-18-8-6-16(7-9-18)22-15-28(24(31)23(30)17-4-2-1-3-5-17)12-13-29(22)21-11-10-19(26)14-20(21)27/h1-11,14,22-23,30H,12-13,15H2/t22-,23+/m0/s1
InChIKeyYWDUGPCERSSKMM-XZOQPEGZSA-N
XLogP5.77
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.80
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone?
The IUPAC name of (2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone (CID 59261834) is (2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone.
What is the SMILES notation for (2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone?
The canonical SMILES for (2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone is O=C([C@H](O)c1ccccc1)N1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of (2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone?
The InChIKey is YWDUGPCERSSKMM-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H21Cl3N2O2/c25-18-8-6-16(7-9-18)22-15-28(24(31)23(30)17-4-2-1-3-5-17)12-13-29(22)21-11-10-19(26)14-20(21)27/h1-11,14,22-23,30H,12-13,15H2/t22-,23+/m0/s1.
What are the key properties of (2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone?
(2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone has a molecular weight of 475.80 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 59261834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).