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

• ChemBase ID: 85281
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: N1(CCC(=NO)CC1)CC
• Canonical SMILES: CCN1CCC(=NO)CC1
• InChI: InChI=1S/C7H14N2O/c1-2-9-5-3-7(8-10)4-6-9/h10H,2-6H2,1H3
• InChIKey: IIQOVJQOSPDVCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-ethylpiperidin-4-ylidene)hydroxylamine
• IUPAC Traditional name: N-(1-ethylpiperidin-4-ylidene)hydroxylamine
• Synonyms: 1-ethyltetrahydropyridin-4(1H)-one oxime; 1-ethylpiperidin-4-one oxime

Database IDs

• MDL Number: MFCD00780972
• PubChem SID: 162072397
• PubChem CID: 2795268

CALCULATED PROPERTIES

• Acid pKa: 11.725369
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.717325
• LogD (pH = 7.4): -1.1840303
• Log P: 0.53942055
• Molar Refractivity: 41.0338 cm^3
• Polarizability: 15.840032 Å^3
• Polar Surface Area: 35.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.864

Product Information

• Purity: 95%