2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanol

C25H28N2O — CID 2809776

IUPAC2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanol
SMILESOC(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C25H28N2O/c28-24(21-10-4-1-5-11-21)20-26-16-18-27(19-17-26)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-25,28H,16-20H2
InChIKeyQCVZMJCLXHNXEV-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.13
Rot. Bonds6

About 2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanol

2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanol (PubChem CID 2809776) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanol
PubChem CID2809776
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanol
SMILESOC(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C25H28N2O/c28-24(21-10-4-1-5-11-21)20-26-16-18-27(19-17-26)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-25,28H,16-20H2
InChIKeyQCVZMJCLXHNXEV-UHFFFAOYSA-N
XLogP4.13
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanol?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanol (CID 2809776) is 2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanol.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanol?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanol is OC(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanol?
The InChIKey is QCVZMJCLXHNXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c28-24(21-10-4-1-5-11-21)20-26-16-18-27(19-17-26)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-25,28H,16-20H2.
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanol?
2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanol has a molecular weight of 372.51 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanol is sourced from PubChem (CID 2809776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).