1-(2-ethoxyphenyl)piperazine

• ChemBase ID: 294601
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: CCOc1c(cccc1)N1CCNCC1
• Canonical SMILES: CCOc1ccccc1N1CCNCC1
• InChI: InChI=1S/C12H18N2O/c1-2-15-12-6-4-3-5-11(12)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3
• InChIKey: FBQIUSDQWOLCNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-ethoxyphenyl)piperazine
• IUPAC Traditional name: 1-(2-ethoxyphenyl)piperazine
• Synonyms: 1-(2-Ethoxyphenyl)piperazine

Database IDs

• CAS Number: 13339-01-0
• MDL Number: MFCD01026120
• PubChem SID: 180680132
• PubChem CID: 83357

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2437923
• LogD (pH = 7.4): 0.2939453
• Log P: 1.744498
• Molar Refractivity: 62.4538 cm^3
• Polarizability: 23.997545 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%