N'-hydroxy-1-methyl-4-(4-methylpiperidin-1-yl)piperidine-4-carboximidamide

• ChemBase ID: 239967
• Molecular Formular: C13H26N4O
• Molecular Mass: 254.37174
• Monoisotopic Mass: 254.21066147
• SMILES: C1(N2CCC(CC2)C)(/C(=N/O)/N)CCN(CC1)C
• Canonical SMILES: O/N=C(/C1(CCN(CC1)C)N1CCC(CC1)C)\N
• InChI: InChI=1S/C13H26N4O/c1-11-3-7-17(8-4-11)13(12(14)15-18)5-9-16(2)10-6-13/h11,18H,3-10H2,1-2H3,(H2,14,15)
• InChIKey: GVLVJHZJACKWSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-hydroxy-1-methyl-4-(4-methylpiperidin-1-yl)piperidine-4-carboximidamide
• IUPAC Traditional name: N'-hydroxy-1-methyl-4-(4-methylpiperidin-1-yl)piperidine-4-carboximidamide
• Synonyms: N'-hydroxy-1-methyl-4-(4-methylpiperidin-1-yl)piperidine-4-carboximidamide

Database IDs

• MDL Number: MFCD09959873
• PubChem SID: 164295877
• PubChem CID: 71627623

CALCULATED PROPERTIES

• Acid pKa: 10.858826
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.707224
• LogD (pH = 7.4): -2.3208315
• Log P: -0.08788187
• Molar Refractivity: 74.0202 cm^3
• Polarizability: 28.82356 Å^3
• Polar Surface Area: 65.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.964

Product Information

• Purity: 95%