2-(4-benzylpiperazin-1-yl)-1,2-diphenylethanol;hydrochloride

C25H29ClN2O — CID 90669896

IUPAC2-(4-benzylpiperazin-1-yl)-1,2-diphenylethanol;hydrochloride
SMILESCl.OC(c1ccccc1)C(c1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H28N2O.ClH/c28-25(23-14-8-3-9-15-23)24(22-12-6-2-7-13-22)27-18-16-26(17-19-27)20-21-10-4-1-5-11-21;/h1-15,24-25,28H,16-20H2;1H
InChIKeyJMGBFNQRBOWPBO-UHFFFAOYSA-N
MW408.97 g/mol
LogP4.70
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-1,2-diphenylethanol;hydrochloride

2-(4-benzylpiperazin-1-yl)-1,2-diphenylethanol;hydrochloride (PubChem CID 90669896) has the molecular formula C25H29ClN2O and a molecular weight of 408.97 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-1,2-diphenylethanol;hydrochloride.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-1,2-diphenylethanol;hydrochloride
PubChem CID90669896
Molecular FormulaC25H29ClN2O
Molecular Weight408.97 g/mol
Exact Mass408.20
IUPAC Name2-(4-benzylpiperazin-1-yl)-1,2-diphenylethanol;hydrochloride
SMILESCl.OC(c1ccccc1)C(c1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H28N2O.ClH/c28-25(23-14-8-3-9-15-23)24(22-12-6-2-7-13-22)27-18-16-26(17-19-27)20-21-10-4-1-5-11-21;/h1-15,24-25,28H,16-20H2;1H
InChIKeyJMGBFNQRBOWPBO-UHFFFAOYSA-N
XLogP4.70
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.97
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-1,2-diphenylethanol;hydrochloride?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-1,2-diphenylethanol;hydrochloride (CID 90669896) is 2-(4-benzylpiperazin-1-yl)-1,2-diphenylethanol;hydrochloride.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-1,2-diphenylethanol;hydrochloride?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-1,2-diphenylethanol;hydrochloride is Cl.OC(c1ccccc1)C(c1ccccc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-1,2-diphenylethanol;hydrochloride?
The InChIKey is JMGBFNQRBOWPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O.ClH/c28-25(23-14-8-3-9-15-23)24(22-12-6-2-7-13-22)27-18-16-26(17-19-27)20-21-10-4-1-5-11-21;/h1-15,24-25,28H,16-20H2;1H.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-1,2-diphenylethanol;hydrochloride?
2-(4-benzylpiperazin-1-yl)-1,2-diphenylethanol;hydrochloride has a molecular weight of 408.97 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-1,2-diphenylethanol;hydrochloride is sourced from PubChem (CID 90669896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).