3-[(4-benzylpiperazin-1-yl)-phenylmethyl]phenol

C24H26N2O — CID 10765126

IUPAC3-[(4-benzylpiperazin-1-yl)-phenylmethyl]phenol
SMILESOc1cccc(C(c2ccccc2)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C24H26N2O/c27-23-13-7-12-22(18-23)24(21-10-5-2-6-11-21)26-16-14-25(15-17-26)19-20-8-3-1-4-9-20/h1-13,18,24,27H,14-17,19H2
InChIKeyHZZCYHBEEHSRRI-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.30
Rot. Bonds5

About 3-[(4-benzylpiperazin-1-yl)-phenylmethyl]phenol

3-[(4-benzylpiperazin-1-yl)-phenylmethyl]phenol (PubChem CID 10765126) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-[(4-benzylpiperazin-1-yl)-phenylmethyl]phenol.

Molecular Properties

Compound Name3-[(4-benzylpiperazin-1-yl)-phenylmethyl]phenol
PubChem CID10765126
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name3-[(4-benzylpiperazin-1-yl)-phenylmethyl]phenol
SMILESOc1cccc(C(c2ccccc2)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C24H26N2O/c27-23-13-7-12-22(18-23)24(21-10-5-2-6-11-21)26-16-14-25(15-17-26)19-20-8-3-1-4-9-20/h1-13,18,24,27H,14-17,19H2
InChIKeyHZZCYHBEEHSRRI-UHFFFAOYSA-N
XLogP4.30
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-benzylpiperazin-1-yl)-phenylmethyl]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)-phenylmethyl]phenol?
The IUPAC name of 3-[(4-benzylpiperazin-1-yl)-phenylmethyl]phenol (CID 10765126) is 3-[(4-benzylpiperazin-1-yl)-phenylmethyl]phenol.
What is the SMILES notation for 3-[(4-benzylpiperazin-1-yl)-phenylmethyl]phenol?
The canonical SMILES for 3-[(4-benzylpiperazin-1-yl)-phenylmethyl]phenol is Oc1cccc(C(c2ccccc2)N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 3-[(4-benzylpiperazin-1-yl)-phenylmethyl]phenol?
The InChIKey is HZZCYHBEEHSRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c27-23-13-7-12-22(18-23)24(21-10-5-2-6-11-21)26-16-14-25(15-17-26)19-20-8-3-1-4-9-20/h1-13,18,24,27H,14-17,19H2.
What are the key properties of 3-[(4-benzylpiperazin-1-yl)-phenylmethyl]phenol?
3-[(4-benzylpiperazin-1-yl)-phenylmethyl]phenol has a molecular weight of 358.49 g/mol, XLogP of 4.30, 5 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)-phenylmethyl]phenol is sourced from PubChem (CID 10765126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).