3-(4-benzylpiperazin-1-yl)phenol

C17H20N2O — CID 10015867

IUPAC3-(4-benzylpiperazin-1-yl)phenol
SMILESOc1cccc(N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
InChIKeyBISVFNHMXVNVMG-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.71
Rot. Bonds3

About 3-(4-benzylpiperazin-1-yl)phenol

3-(4-benzylpiperazin-1-yl)phenol (PubChem CID 10015867) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)phenol.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)phenol
PubChem CID10015867
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-(4-benzylpiperazin-1-yl)phenol
SMILESOc1cccc(N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
InChIKeyBISVFNHMXVNVMG-UHFFFAOYSA-N
XLogP2.71
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-benzylpiperazin-1-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)phenol?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)phenol (CID 10015867) is 3-(4-benzylpiperazin-1-yl)phenol.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)phenol?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)phenol is Oc1cccc(N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)phenol?
The InChIKey is BISVFNHMXVNVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2.
What are the key properties of 3-(4-benzylpiperazin-1-yl)phenol?
3-(4-benzylpiperazin-1-yl)phenol has a molecular weight of 268.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)phenol is sourced from PubChem (CID 10015867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).