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

C18H22N2O2 — CID 1377149

IUPAC4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol
SMILESCOc1ccccc1N1CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C18H22N2O2/c1-22-18-5-3-2-4-17(18)20-12-10-19(11-13-20)14-15-6-8-16(21)9-7-15/h2-9,21H,10-14H2,1H3
InChIKeyPKZQXDLCGDIYQN-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.72
Rot. Bonds4

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

4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol (PubChem CID 1377149) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol
PubChem CID1377149
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol
SMILESCOc1ccccc1N1CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C18H22N2O2/c1-22-18-5-3-2-4-17(18)20-12-10-19(11-13-20)14-15-6-8-16(21)9-7-15/h2-9,21H,10-14H2,1H3
InChIKeyPKZQXDLCGDIYQN-UHFFFAOYSA-N
XLogP2.72
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(2-methoxyphenyl)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 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol (CID 1377149) is 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol is COc1ccccc1N1CCN(Cc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol?
The InChIKey is PKZQXDLCGDIYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-22-18-5-3-2-4-17(18)20-12-10-19(11-13-20)14-15-6-8-16(21)9-7-15/h2-9,21H,10-14H2,1H3.
What are the key properties of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol?
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol has a molecular weight of 298.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 1377149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).