N-cyclohexyl-4-(hydroxyimino)piperidine-1-carboxamide

• ChemBase ID: 256338
• Molecular Formular: C12H21N3O2
• Molecular Mass: 239.31404
• Monoisotopic Mass: 239.16337693
• SMILES: C(=O)(N1CCC(=NO)CC1)NC1CCCCC1
• Canonical SMILES: ON=C1CCN(CC1)C(=O)NC1CCCCC1
• InChI: InChI=1S/C12H21N3O2/c16-12(13-10-4-2-1-3-5-10)15-8-6-11(14-17)7-9-15/h10,17H,1-9H2,(H,13,16)
• InChIKey: FAHCQZISZXCQSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09939431
• PubChem SID: 164312248
• PubChem CID: 24700426

CALCULATED PROPERTIES

• Acid pKa: 10.826442
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0989001
• LogD (pH = 7.4): 1.098746
• Log P: 1.098908
• Molar Refractivity: 65.144 cm^3
• Polarizability: 25.16448 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.946

Product Information

• Purity: 95%