(1R)-2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-1-(3-fluorophenyl)ethanol

C24H22Cl3FN2O — CID 123871612

IUPAC(1R)-2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-1-(3-fluorophenyl)ethanol
SMILESO[C@@H](CN1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1)c1cccc(F)c1
InChIInChI=1S/C24H22Cl3FN2O/c25-18-6-4-16(5-7-18)23-14-29(15-24(31)17-2-1-3-20(28)12-17)10-11-30(23)22-9-8-19(26)13-21(22)27/h1-9,12-13,23-24,31H,10-11,14-15H2/t23-,24-/m0/s1
InChIKeyQZLLPOXHFDENEV-ZEQRLZLVSA-N
MW479.81 g/mol
LogP6.38
Rot. Bonds5

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

(1R)-2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-1-(3-fluorophenyl)ethanol (PubChem CID 123871612) has the molecular formula C24H22Cl3FN2O and a molecular weight of 479.81 g/mol. Its IUPAC name is (1R)-2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-1-(3-fluorophenyl)ethanol
PubChem CID123871612
Molecular FormulaC24H22Cl3FN2O
Molecular Weight479.81 g/mol
Exact Mass478.08
IUPAC Name(1R)-2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-1-(3-fluorophenyl)ethanol
SMILESO[C@@H](CN1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1)c1cccc(F)c1
InChIInChI=1S/C24H22Cl3FN2O/c25-18-6-4-16(5-7-18)23-14-29(15-24(31)17-2-1-3-20(28)12-17)10-11-30(23)22-9-8-19(26)13-21(22)27/h1-9,12-13,23-24,31H,10-11,14-15H2/t23-,24-/m0/s1
InChIKeyQZLLPOXHFDENEV-ZEQRLZLVSA-N
XLogP6.38
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.81
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-1-(3-fluorophenyl)ethanol with MolForge

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Related Compounds

2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-phenylpropyl)piperazine
CID 11669776
1-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)piperazine
CID 149167124
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 11649027
(1S)-2-[(3R)-3-(4-chlorophenyl)-4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 123427422
(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-fluorophenyl)-3-methylsulfonylpropyl]piperazine
CID 158122083
(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine
CID 59261970
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1-phenylethoxymethyl)piperazine
CID 143237546
[4-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methanol
CID 89446386
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-isocyanophenyl)propyl]piperazine
CID 123538536
(2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone
CID 59261834
(2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(3,4-difluorophenyl)propan-2-ol
CID 123654344
(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 143237586

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-1-(3-fluorophenyl)ethanol?
The IUPAC name of (1R)-2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-1-(3-fluorophenyl)ethanol (CID 123871612) is (1R)-2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for (1R)-2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-1-(3-fluorophenyl)ethanol?
The canonical SMILES for (1R)-2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-1-(3-fluorophenyl)ethanol is O[C@@H](CN1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1)c1cccc(F)c1.
What is the InChIKey of (1R)-2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-1-(3-fluorophenyl)ethanol?
The InChIKey is QZLLPOXHFDENEV-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H22Cl3FN2O/c25-18-6-4-16(5-7-18)23-14-29(15-24(31)17-2-1-3-20(28)12-17)10-11-30(23)22-9-8-19(26)13-21(22)27/h1-9,12-13,23-24,31H,10-11,14-15H2/t23-,24-/m0/s1.
What are the key properties of (1R)-2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-1-(3-fluorophenyl)ethanol?
(1R)-2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-1-(3-fluorophenyl)ethanol has a molecular weight of 479.81 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 123871612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).