N-(1-cyclohexanecarbonylpiperidin-4-ylidene)hydroxylamine

• ChemBase ID: 256295
• Molecular Formular: C12H20N2O2
• Molecular Mass: 224.2994
• Monoisotopic Mass: 224.15247789
• SMILES: N1(C(=O)C2CCCCC2)CCC(=NO)CC1
• Canonical SMILES: ON=C1CCN(CC1)C(=O)C1CCCCC1
• InChI: InChI=1S/C12H20N2O2/c15-12(10-4-2-1-3-5-10)14-8-6-11(13-16)7-9-14/h10,16H,1-9H2
• InChIKey: ZKESSPCWRKSMIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cyclohexanecarbonylpiperidin-4-ylidene)hydroxylamine
• IUPAC Traditional name: N-(1-cyclohexanecarbonylpiperidin-4-ylidene)hydroxylamine
• Synonyms: 1-(cyclohexylcarbonyl)piperidin-4-one oxime

Database IDs

• MDL Number: MFCD09950105
• PubChem SID: 164312205
• PubChem CID: 24710337

CALCULATED PROPERTIES

• Acid pKa: 11.015543
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5229924
• LogD (pH = 7.4): 1.5229042
• Log P: 1.5230092
• Molar Refractivity: 61.7586 cm^3
• Polarizability: 24.015085 Å^3
• Polar Surface Area: 52.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.386

Product Information

• Purity: 95%