1-[4-(hydroxyimino)piperidin-1-yl]-2,2-dimethylpropan-1-one

• ChemBase ID: 257811
• Molecular Formular: C10H18N2O2
• Molecular Mass: 198.26212
• Monoisotopic Mass: 198.13682783
• SMILES: C(=O)(N1CCC(=NO)CC1)C(C)(C)C
• Canonical SMILES: ON=C1CCN(CC1)C(=O)C(C)(C)C
• InChI: InChI=1S/C10H18N2O2/c1-10(2,3)9(13)12-6-4-8(11-14)5-7-12/h14H,4-7H2,1-3H3
• InChIKey: HXTAZSWYWRXPQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(hydroxyimino)piperidin-1-yl]-2,2-dimethylpropan-1-one
• IUPAC Traditional name: 1-[4-(hydroxyimino)piperidin-1-yl]-2,2-dimethylpropan-1-one
• Synonyms: 1-(2,2-dimethylpropanoyl)piperidin-4-one oxime

Database IDs

• MDL Number: MFCD09928656
• PubChem SID: 164313721
• PubChem CID: 18970425

CALCULATED PROPERTIES

• Acid pKa: 11.176104
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2090287
• LogD (pH = 7.4): 1.2089708
• Log P: 1.2090434
• Molar Refractivity: 54.2588 cm^3
• Polarizability: 21.063967 Å^3
• Polar Surface Area: 52.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.592

Product Information

• Purity: 95%