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

• ChemBase ID: 253092
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: N1(C2CC2)CC/C(=N\O)/CC1
• Canonical SMILES: O/N=C/1\CCN(CC1)C1CC1
• InChI: InChI=1S/C8H14N2O/c11-9-7-3-5-10(6-4-7)8-1-2-8/h8,11H,1-6H2
• InChIKey: LDIGMNDPOPYOIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08691349
• PubChem SID: 164309002
• PubChem CID: 16227614

CALCULATED PROPERTIES

• Acid pKa: 11.572813
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5060697
• LogD (pH = 7.4): -0.8740083
• Log P: 0.6481771
• Molar Refractivity: 43.4964 cm^3
• Polarizability: 16.954247 Å^3
• Polar Surface Area: 35.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.48

Product Information

• Purity: 95%