2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamine

C13H21N3O — CID 10399186

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamine
SMILESCOc1ccccc1N1CCN(CCN)CC1
InChIInChI=1S/C13H21N3O/c1-17-13-5-3-2-4-12(13)16-10-8-15(7-6-14)9-11-16/h2-5H,6-11,14H2,1H3
InChIKeyNDVVQPVEUGLAPX-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.78
Rot. Bonds4

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

2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamine (PubChem CID 10399186) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamine
PubChem CID10399186
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamine
SMILESCOc1ccccc1N1CCN(CCN)CC1
InChIInChI=1S/C13H21N3O/c1-17-13-5-3-2-4-12(13)16-10-8-15(7-6-14)9-11-16/h2-5H,6-11,14H2,1H3
InChIKeyNDVVQPVEUGLAPX-UHFFFAOYSA-N
XLogP0.78
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamine 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-methoxyphenyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamine (CID 10399186) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamine is COc1ccccc1N1CCN(CCN)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamine?
The InChIKey is NDVVQPVEUGLAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-17-13-5-3-2-4-12(13)16-10-8-15(7-6-14)9-11-16/h2-5H,6-11,14H2,1H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamine?
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 10399186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).