N'-hydroxy-1-methylpiperidine-3-carboximidamide

• ChemBase ID: 241663
• Molecular Formular: C7H15N3O
• Molecular Mass: 157.2135
• Monoisotopic Mass: 157.12151212
• SMILES: C1(/C(=N/O)/N)CN(CCC1)C
• Canonical SMILES: O/N=C(/C1CCCN(C1)C)\N
• InChI: InChI=1S/C7H15N3O/c1-10-4-2-3-6(5-10)7(8)9-11/h6,11H,2-5H2,1H3,(H2,8,9)
• InChIKey: ASTGCFFFALEDKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-hydroxy-1-methylpiperidine-3-carboximidamide
• IUPAC Traditional name: N'-hydroxy-1-methylpiperidine-3-carboximidamide
• Synonyms: N'-hydroxy-1-methylpiperidine-3-carboximidamide

Database IDs

• MDL Number: MFCD20324119
• PubChem SID: 164297573
• PubChem CID: 59556465

CALCULATED PROPERTIES

• Acid pKa: 11.814525
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.972144
• LogD (pH = 7.4): -2.2798223
• Log P: -0.32110858
• Molar Refractivity: 43.982 cm^3
• Polarizability: 16.983902 Å^3
• Polar Surface Area: 61.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.449

Product Information

• Purity: 95%