(E)-N'-hydroxy-6-(piperidin-1-yl)pyridine-3-carboximidamide

• ChemBase ID: 264121
• Molecular Formular: C11H16N4O
• Molecular Mass: 220.27094
• Monoisotopic Mass: 220.13241115
• SMILES: c1(ncc(/C(=N\O)/N)cc1)N1CCCCC1
• Canonical SMILES: O/N=C(\c1ccc(nc1)N1CCCCC1)/N
• InChI: InChI=1S/C11H16N4O/c12-11(14-16)9-4-5-10(13-8-9)15-6-2-1-3-7-15/h4-5,8,16H,1-3,6-7H2,(H2,12,14)
• InChIKey: DUJFZVRBRGLFND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N'-hydroxy-6-(piperidin-1-yl)pyridine-3-carboximidamide
• IUPAC Traditional name: (E)-N'-hydroxy-6-(piperidin-1-yl)pyridine-3-carboximidamide
• Synonyms: N'-hydroxy-6-(piperidin-1-yl)pyridine-3-carboximidamide

Database IDs

• MDL Number: MFCD09939229
• PubChem SID: 164320031
• PubChem CID: 28194076

CALCULATED PROPERTIES

• Acid pKa: 12.129126
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.1467065
• LogD (pH = 7.4): 1.2246304
• Log P: 1.2257277
• Molar Refractivity: 63.8074 cm^3
• Polarizability: 23.437284 Å^3
• Polar Surface Area: 74.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 165 - 167°C
• Hydrophobicity(logP): 0.914

Product Information

• Purity: 95%