1-(4-aminophenyl)piperidine-2,6-dione

• ChemBase ID: 257503
• Molecular Formular: C11H12N2O2
• Molecular Mass: 204.22518
• Monoisotopic Mass: 204.08987763
• SMILES: N1(C(=O)CCCC1=O)c1ccc(N)cc1
• Canonical SMILES: O=C1CCCC(=O)N1c1ccc(cc1)N
• InChI: InChI=1S/C11H12N2O2/c12-8-4-6-9(7-5-8)13-10(14)2-1-3-11(13)15/h4-7H,1-3,12H2
• InChIKey: WREGJVIGNZMJOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-aminophenyl)piperidine-2,6-dione
• IUPAC Traditional name: 1-(4-aminophenyl)piperidine-2,6-dione
• Synonyms: 1-(4-aminophenyl)piperidine-2,6-dione

Database IDs

• MDL Number: MFCD01593576
• PubChem SID: 164313413
• PubChem CID: 10442897

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.50377244
• Log P: 0.50380564
• Molar Refractivity: 56.2571 cm^3
• Polarizability: 21.221476 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5011729

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.705

Product Information

• Purity: 95%