2-[4-(hydroxyimino)piperidin-1-yl]-N-methylacetamide

• ChemBase ID: 256233
• Molecular Formular: C8H15N3O2
• Molecular Mass: 185.2236
• Monoisotopic Mass: 185.11642674
• SMILES: N1(CC(=O)NC)CCC(=NO)CC1
• Canonical SMILES: CNC(=O)CN1CCC(=NO)CC1
• InChI: InChI=1S/C8H15N3O2/c1-9-8(12)6-11-4-2-7(10-13)3-5-11/h13H,2-6H2,1H3,(H,9,12)
• InChIKey: TUVGTXKCZHCYQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09929254
• PubChem SID: 164312143
• PubChem CID: 24691032

CALCULATED PROPERTIES

• Acid pKa: 11.362083
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.7586908
• LogD (pH = 7.4): -1.1943986
• Log P: -0.92267066
• Molar Refractivity: 49.0887 cm^3
• Polarizability: 18.927721 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.395

Product Information

• Purity: 95%