1-benzylpiperidine-2,6-dione

• ChemBase ID: 248778
• Molecular Formular: C12H13NO2
• Molecular Mass: 203.23712
• Monoisotopic Mass: 203.09462866
• SMILES: N1(C(=O)CCCC1=O)Cc1ccccc1
• Canonical SMILES: O=C1CCCC(=O)N1Cc1ccccc1
• InChI: InChI=1S/C12H13NO2/c14-11-7-4-8-12(15)13(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
• InChIKey: RBEFUDUPGFNSIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzylpiperidine-2,6-dione
• IUPAC Traditional name: 1-benzylpiperidine-2,6-dione
• Synonyms: 1-benzylpiperidine-2,6-dione

Database IDs

• MDL Number: MFCD00523377
• PubChem SID: 164304688
• PubChem CID: 13156566

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3992463
• LogD (pH = 7.4): 1.3992463
• Log P: 1.3992463
• Molar Refractivity: 56.3917 cm^3
• Polarizability: 21.92622 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.531

Product Information

• Purity: 95%