2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol

C18H22N2O2 — CID 45035495

IUPAC2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol
SMILESOc1ccccc1CN1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C18H22N2O2/c21-17-7-3-1-5-15(17)13-19-9-11-20(12-10-19)14-16-6-2-4-8-18(16)22/h1-8,21-22H,9-14H2
InChIKeyPCNZZVQSJCNPQE-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.42
Rot. Bonds4

About 2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol

2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol (PubChem CID 45035495) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol
PubChem CID45035495
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol
SMILESOc1ccccc1CN1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C18H22N2O2/c21-17-7-3-1-5-15(17)13-19-9-11-20(12-10-19)14-16-6-2-4-8-18(16)22/h1-8,21-22H,9-14H2
InChIKeyPCNZZVQSJCNPQE-UHFFFAOYSA-N
XLogP2.42
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]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 2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol?
The IUPAC name of 2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol (CID 45035495) is 2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol?
The canonical SMILES for 2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol is Oc1ccccc1CN1CCN(Cc2ccccc2O)CC1.
What is the InChIKey of 2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol?
The InChIKey is PCNZZVQSJCNPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-17-7-3-1-5-15(17)13-19-9-11-20(12-10-19)14-16-6-2-4-8-18(16)22/h1-8,21-22H,9-14H2.
What are the key properties of 2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol?
2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol has a molecular weight of 298.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 45035495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).