4-(hydroxyimino)-N-phenylpiperidine-1-carboxamide

• ChemBase ID: 253070
• Molecular Formular: C12H15N3O2
• Molecular Mass: 233.2664
• Monoisotopic Mass: 233.11642674
• SMILES: C(=O)(N1CC/C(=N\O)/CC1)Nc1ccccc1
• Canonical SMILES: O/N=C/1\CCN(CC1)C(=O)Nc1ccccc1
• InChI: InChI=1S/C12H15N3O2/c16-12(13-10-4-2-1-3-5-10)15-8-6-11(14-17)7-9-15/h1-5,17H,6-9H2,(H,13,16)
• InChIKey: WHFYFAHQQGUPQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(hydroxyimino)-N-phenylpiperidine-1-carboxamide
• IUPAC Traditional name: 4-(hydroxyimino)-N-phenylpiperidine-1-carboxamide
• Synonyms: 4-(hydroxyimino)-N-phenylpiperidine-1-carboxamide

Database IDs

• MDL Number: MFCD08691335
• PubChem SID: 164308980
• PubChem CID: 16227601

CALCULATED PROPERTIES

• Acid pKa: 10.685499
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3172009
• LogD (pH = 7.4): 1.3169818
• Log P: 1.3172059
• Molar Refractivity: 65.6882 cm^3
• Polarizability: 24.412827 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.975

Product Information

• Purity: 95%