1-(4-methoxyphenyl)piperazin-2-one

• ChemBase ID: 810381
• Molecular Formular: C11H14N2O2
• Molecular Mass: 206.24106
• Monoisotopic Mass: 206.1055277
• SMILES: C1(=O)CNCCN1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)N1CCNCC1=O
• InChI: InChI=1S/C11H14N2O2/c1-15-10-4-2-9(3-5-10)13-7-6-12-8-11(13)14/h2-5,12H,6-8H2,1H3
• InChIKey: OLCFAGOBWZYMTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)piperazin-2-one
• IUPAC Traditional name: 1-(4-methoxyphenyl)piperazin-2-one
• Synonyms: 1-(4-METHOXY-PHENYL)-PIPERAZIN-2-ONE

Database IDs

• CAS Number: 215649-82-4

CALCULATED PROPERTIES

• Acid pKa: 17.633104
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9894736
• LogD (pH = 7.4): 0.17147368
• Log P: 0.2542766
• Molar Refractivity: 56.6654 cm^3
• Polarizability: 22.205284 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%