1-[2-(2-methoxyphenyl)ethyl]piperazine

• ChemBase ID: 289150
• Molecular Formular: C13H20N2O
• Molecular Mass: 220.3107
• Monoisotopic Mass: 220.15756327
• SMILES: COc1ccccc1CCN1CCNCC1
• Canonical SMILES: COc1ccccc1CCN1CCNCC1
• InChI: InChI=1S/C13H20N2O/c1-16-13-5-3-2-4-12(13)6-9-15-10-7-14-8-11-15/h2-5,14H,6-11H2,1H3
• InChIKey: SMYVCLYJLPIIME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(2-methoxyphenyl)ethyl]piperazine
• IUPAC Traditional name: 1-[2-(2-methoxyphenyl)ethyl]piperazine
• Synonyms: 1-(2-Methoxyphenethyl)piperazine

Database IDs

• CAS Number: 147149-54-0
• MDL Number: MFCD09894107
• PubChem SID: 180674681
• PubChem CID: 21118716

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6920141
• LogD (pH = 7.4): -0.35343894
• Log P: 1.5097041
• Molar Refractivity: 66.5743 cm^3
• Polarizability: 26.158812 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%