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

C19H24N2O — CID 2767001

IUPAC2-(4-benzylpiperazin-1-yl)-1-phenylethanol
SMILESOC(CN1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H24N2O/c22-19(18-9-5-2-6-10-18)16-21-13-11-20(12-14-21)15-17-7-3-1-4-8-17/h1-10,19,22H,11-16H2
InChIKeyOMKPBKIXBACXLH-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.54
Rot. Bonds5

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

2-(4-benzylpiperazin-1-yl)-1-phenylethanol (PubChem CID 2767001) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-1-phenylethanol
PubChem CID2767001
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name2-(4-benzylpiperazin-1-yl)-1-phenylethanol
SMILESOC(CN1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H24N2O/c22-19(18-9-5-2-6-10-18)16-21-13-11-20(12-14-21)15-17-7-3-1-4-8-17/h1-10,19,22H,11-16H2
InChIKeyOMKPBKIXBACXLH-UHFFFAOYSA-N
XLogP2.54
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.54
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-phenylethanol?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-phenylethanol (CID 2767001) is 2-(4-benzylpiperazin-1-yl)-1-phenylethanol.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-1-phenylethanol?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-1-phenylethanol is OC(CN1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-1-phenylethanol?
The InChIKey is OMKPBKIXBACXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c22-19(18-9-5-2-6-10-18)16-21-13-11-20(12-14-21)15-17-7-3-1-4-8-17/h1-10,19,22H,11-16H2.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-1-phenylethanol?
2-(4-benzylpiperazin-1-yl)-1-phenylethanol has a molecular weight of 296.41 g/mol, XLogP of 2.54, 5 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-phenylethanol is sourced from PubChem (CID 2767001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).