(Z)-N'-hydroxy-4-(4-methylpiperidin-1-yl)butimidamide

• ChemBase ID: 265967
• Molecular Formular: C10H21N3O
• Molecular Mass: 199.29324
• Monoisotopic Mass: 199.16846231
• SMILES: N1(CCC(CC1)C)CCC/C(=N/O)/N
• Canonical SMILES: CC1CCN(CC1)CCC/C(=N/O)/N
• InChI: InChI=1S/C10H21N3O/c1-9-4-7-13(8-5-9)6-2-3-10(11)12-14/h9,14H,2-8H2,1H3,(H2,11,12)
• InChIKey: VLUDAIUIUQFXCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxy-4-(4-methylpiperidin-1-yl)butimidamide
• IUPAC Traditional name: (Z)-N'-hydroxy-4-(4-methylpiperidin-1-yl)butimidamide
• Synonyms: N'-hydroxy-4-(4-methylpiperidin-1-yl)butanimidamide

Database IDs

• MDL Number: MFCD09936637
• PubChem SID: 164321877
• PubChem CID: 24697862

CALCULATED PROPERTIES

• Acid pKa: 12.169677
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.453552
• LogD (pH = 7.4): -1.8023758
• Log P: 0.5909158
• Molar Refractivity: 57.9837 cm^3
• Polarizability: 22.500568 Å^3
• Polar Surface Area: 61.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 98 - 100°C
• Hydrophobicity(logP): 1.703

Product Information

• Purity: 95%