2-[4-(hydroxyimino)piperidin-1-yl]acetamide

• ChemBase ID: 252889
• Molecular Formular: C7H13N3O2
• Molecular Mass: 171.19702
• Monoisotopic Mass: 171.10077667
• SMILES: N1(CC(=O)N)CCC(=NO)CC1
• Canonical SMILES: ON=C1CCN(CC1)CC(=O)N
• InChI: InChI=1S/C7H13N3O2/c8-7(11)5-10-3-1-6(9-12)2-4-10/h12H,1-5H2,(H2,8,11)
• InChIKey: UMHVWNLLJUZCFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(hydroxyimino)piperidin-1-yl]acetamide
• IUPAC Traditional name: 2-[4-(hydroxyimino)piperidin-1-yl]acetamide
• Synonyms: 2-[4-(hydroxyimino)piperidin-1-yl]acetamide

Database IDs

• MDL Number: MFCD08691212
• PubChem SID: 164308799
• PubChem CID: 16227489

CALCULATED PROPERTIES

• Acid pKa: 11.296033
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.8517134
• LogD (pH = 7.4): -1.3603538
• Log P: -1.1463467
• Molar Refractivity: 44.192 cm^3
• Polarizability: 17.098633 Å^3
• Polar Surface Area: 78.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.661

Product Information

• Purity: 95%