1-[4-(hydroxyimino)piperidin-1-yl]ethan-1-one

• ChemBase ID: 252717
• Molecular Formular: C7H12N2O2
• Molecular Mass: 156.18238
• Monoisotopic Mass: 156.08987763
• SMILES: N1(C(=O)C)CCC(=NO)CC1
• Canonical SMILES: ON=C1CCN(CC1)C(=O)C
• InChI: InChI=1S/C7H12N2O2/c1-6(10)9-4-2-7(8-11)3-5-9/h11H,2-5H2,1H3
• InChIKey: LGYZFQBEYRBOFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(hydroxyimino)piperidin-1-yl]ethan-1-one
• IUPAC Traditional name: 1-[4-(hydroxyimino)piperidin-1-yl]ethanone
• Synonyms: 1-acetylpiperidin-4-one oxime

Database IDs

• MDL Number: MFCD08873638
• PubChem SID: 164308627
• PubChem CID: 15707988

CALCULATED PROPERTIES

• Acid pKa: 10.995182
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.59050244
• LogD (pH = 7.4): -0.590603
• Log P: -0.5904931
• Molar Refractivity: 40.5564 cm^3
• Polarizability: 15.569463 Å^3
• Polar Surface Area: 52.9 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.645

Product Information

• Purity: 95%