1-(4-methoxybenzoyl)piperazine

• ChemBase ID: 74292
• Molecular Formular: C12H16N2O2
• Molecular Mass: 220.26764
• Monoisotopic Mass: 220.12117776
• SMILES: O(c1ccc(cc1)C(=O)N1CCNCC1)C
• Canonical SMILES: COc1ccc(cc1)C(=O)N1CCNCC1
• InChI: InChI=1S/C12H16N2O2/c1-16-11-4-2-10(3-5-11)12(15)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3
• InChIKey: AWNXKUKDGIDDBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxybenzoyl)piperazine
• IUPAC Traditional name: 1-(4-methoxybenzoyl)piperazine
• Synonyms: 1-(4-Methoxybenzoyl)piperazine

Database IDs

• CAS Number: 94747-49-6
• MDL Number: MFCD02256020
• PubChem SID: 162039211
• PubChem CID: 2736724

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6963726
• LogD (pH = 7.4): 0.017517509
• Log P: 0.5776386
• Molar Refractivity: 62.1484 cm^3
• Polarizability: 23.841272 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant