2-(3-methylphenyl)-2-piperazin-1-ylethanol

C13H20N2O — CID 54592967

IUPAC2-(3-methylphenyl)-2-piperazin-1-ylethanol
SMILESCc1cccc(C(CO)N2CCNCC2)c1
InChIInChI=1S/C13H20N2O/c1-11-3-2-4-12(9-11)13(10-16)15-7-5-14-6-8-15/h2-4,9,13-14,16H,5-8,10H2,1H3
InChIKeyKNVPXFDWGVBHFO-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.93
Rot. Bonds3

About 2-(3-methylphenyl)-2-piperazin-1-ylethanol

2-(3-methylphenyl)-2-piperazin-1-ylethanol (PubChem CID 54592967) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(3-methylphenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name2-(3-methylphenyl)-2-piperazin-1-ylethanol
PubChem CID54592967
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(3-methylphenyl)-2-piperazin-1-ylethanol
SMILESCc1cccc(C(CO)N2CCNCC2)c1
InChIInChI=1S/C13H20N2O/c1-11-3-2-4-12(9-11)13(10-16)15-7-5-14-6-8-15/h2-4,9,13-14,16H,5-8,10H2,1H3
InChIKeyKNVPXFDWGVBHFO-UHFFFAOYSA-N
XLogP0.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-methylphenyl)-2-piperazin-1-ylethanol 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-(3-methylphenyl)-2-piperazin-1-ylethanol?
The IUPAC name of 2-(3-methylphenyl)-2-piperazin-1-ylethanol (CID 54592967) is 2-(3-methylphenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 2-(3-methylphenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for 2-(3-methylphenyl)-2-piperazin-1-ylethanol is Cc1cccc(C(CO)N2CCNCC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-2-piperazin-1-ylethanol?
The InChIKey is KNVPXFDWGVBHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-3-2-4-12(9-11)13(10-16)15-7-5-14-6-8-15/h2-4,9,13-14,16H,5-8,10H2,1H3.
What are the key properties of 2-(3-methylphenyl)-2-piperazin-1-ylethanol?
2-(3-methylphenyl)-2-piperazin-1-ylethanol has a molecular weight of 220.32 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 54592967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).