1-(2-ethoxyphenyl)piperazine;hydrochloride

C12H19ClN2O — CID 12862418

IUPAC1-(2-ethoxyphenyl)piperazine;hydrochloride
SMILESCCOc1ccccc1N1CCNCC1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-2-15-12-6-4-3-5-11(12)14-9-7-13-8-10-14;/h3-6,13H,2,7-10H2,1H3;1H
InChIKeyOPDWQXGKXOCCDT-UHFFFAOYSA-N
MW242.75 g/mol
LogP1.92
Rot. Bonds3

About 1-(2-ethoxyphenyl)piperazine;hydrochloride

1-(2-ethoxyphenyl)piperazine;hydrochloride (PubChem CID 12862418) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)piperazine;hydrochloride
PubChem CID12862418
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name1-(2-ethoxyphenyl)piperazine;hydrochloride
SMILESCCOc1ccccc1N1CCNCC1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-2-15-12-6-4-3-5-11(12)14-9-7-13-8-10-14;/h3-6,13H,2,7-10H2,1H3;1H
InChIKeyOPDWQXGKXOCCDT-UHFFFAOYSA-N
XLogP1.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethoxyphenyl)piperazine;hydrochloride 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 1-(2-ethoxyphenyl)piperazine;hydrochloride?
The IUPAC name of 1-(2-ethoxyphenyl)piperazine;hydrochloride (CID 12862418) is 1-(2-ethoxyphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(2-ethoxyphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-(2-ethoxyphenyl)piperazine;hydrochloride is CCOc1ccccc1N1CCNCC1.Cl.
What is the InChIKey of 1-(2-ethoxyphenyl)piperazine;hydrochloride?
The InChIKey is OPDWQXGKXOCCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-2-15-12-6-4-3-5-11(12)14-9-7-13-8-10-14;/h3-6,13H,2,7-10H2,1H3;1H.
What are the key properties of 1-(2-ethoxyphenyl)piperazine;hydrochloride?
1-(2-ethoxyphenyl)piperazine;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)piperazine;hydrochloride is sourced from PubChem (CID 12862418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).