2-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-diphenylethanol

C24H25ClN2O — CID 12505318

IUPAC2-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-diphenylethanol
SMILESOC(c1ccccc1)C(c1ccccc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C24H25ClN2O/c25-21-13-7-8-14-22(21)26-15-17-27(18-16-26)23(19-9-3-1-4-10-19)24(28)20-11-5-2-6-12-20/h1-14,23-24,28H,15-18H2
InChIKeyDXCJVDYXSFRAPR-UHFFFAOYSA-N
MW392.93 g/mol
LogP4.94
Rot. Bonds5

About 2-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-diphenylethanol

2-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-diphenylethanol (PubChem CID 12505318) has the molecular formula C24H25ClN2O and a molecular weight of 392.93 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-diphenylethanol.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-diphenylethanol
PubChem CID12505318
Molecular FormulaC24H25ClN2O
Molecular Weight392.93 g/mol
Exact Mass392.17
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-diphenylethanol
SMILESOC(c1ccccc1)C(c1ccccc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C24H25ClN2O/c25-21-13-7-8-14-22(21)26-15-17-27(18-16-26)23(19-9-3-1-4-10-19)24(28)20-11-5-2-6-12-20/h1-14,23-24,28H,15-18H2
InChIKeyDXCJVDYXSFRAPR-UHFFFAOYSA-N
XLogP4.94
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-diphenylethanol?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-diphenylethanol (CID 12505318) is 2-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-diphenylethanol.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-diphenylethanol?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-diphenylethanol is OC(c1ccccc1)C(c1ccccc1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-diphenylethanol?
The InChIKey is DXCJVDYXSFRAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O/c25-21-13-7-8-14-22(21)26-15-17-27(18-16-26)23(19-9-3-1-4-10-19)24(28)20-11-5-2-6-12-20/h1-14,23-24,28H,15-18H2.
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-diphenylethanol?
2-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-diphenylethanol has a molecular weight of 392.93 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)piperazin-1-yl]-1,2-diphenylethanol is sourced from PubChem (CID 12505318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).