1-(3-ethoxyphenyl)piperazine

• ChemBase ID: 812763
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: C1CNCCN1c1cc(ccc1)OCC
• Canonical SMILES: CCOc1cccc(c1)N1CCNCC1
• InChI: InChI=1S/C12H18N2O/c1-2-15-12-5-3-4-11(10-12)14-8-6-13-7-9-14/h3-5,10,13H,2,6-9H2,1H3
• InChIKey: SNOLWZPEAPGOOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-ethoxyphenyl)piperazine
• IUPAC Traditional name: 1-(3-ethoxyphenyl)piperazine
• Synonyms: 1-(3-ETHOXY-PHENYL)-PIPERAZINE

Database IDs

• CAS Number: 89989-06-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2565469
• LogD (pH = 7.4): 0.2660206
• Log P: 1.744498
• Molar Refractivity: 62.4538 cm^3
• Polarizability: 23.996534 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%