(E)-N'-hydroxy-2-(piperidin-1-yl)pyridine-3-carboximidamide

• ChemBase ID: 264165
• Molecular Formular: C11H16N4O
• Molecular Mass: 220.27094
• Monoisotopic Mass: 220.13241115
• SMILES: c1(c(/C(=N\O)/N)cccn1)N1CCCCC1
• Canonical SMILES: O/N=C(\c1cccnc1N1CCCCC1)/N
• InChI: InChI=1S/C11H16N4O/c12-10(14-16)9-5-4-6-13-11(9)15-7-2-1-3-8-15/h4-6,16H,1-3,7-8H2,(H2,12,14)
• InChIKey: JZHHKLUPBPYXRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N'-hydroxy-2-(piperidin-1-yl)pyridine-3-carboximidamide
• IUPAC Traditional name: (E)-N'-hydroxy-2-(piperidin-1-yl)pyridine-3-carboximidamide
• Synonyms: N'-hydroxy-2-(piperidin-1-yl)pyridine-3-carboximidamide

Database IDs

• MDL Number: MFCD09948886
• PubChem SID: 164320075
• PubChem CID: 28212529

CALCULATED PROPERTIES

• Acid pKa: 11.680138
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.2107054
• LogD (pH = 7.4): 1.2255126
• Log P: 1.2257277
• Molar Refractivity: 63.8074 cm^3
• Polarizability: 23.438923 Å^3
• Polar Surface Area: 74.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 0.914

Product Information

• Purity: 95%