N'-hydroxy-2-(piperidin-1-yl)ethanimidamide

• ChemBase ID: 89231
• Molecular Formular: C7H15N3O
• Molecular Mass: 157.2135
• Monoisotopic Mass: 157.12151212
• SMILES: N1(C/C(=N/O)/N)CCCCC1
• Canonical SMILES: O/N=C(/CN1CCCCC1)\N
• InChI: InChI=1S/C7H15N3O/c8-7(9-11)6-10-4-2-1-3-5-10/h11H,1-6H2,(H2,8,9)
• InChIKey: FWFVZEXRAAFFEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-hydroxy-2-(piperidin-1-yl)ethanimidamide
• IUPAC Traditional name: N'-hydroxy-2-(piperidin-1-yl)ethanimidamide
• Synonyms: 2-Piperidin-1-ylacetamidoxime 97%

Database IDs

• CAS Number: 175136-64-8
• MDL Number: MFCD00052662
• PubChem SID: 162076113
• PubChem CID: 9580383

CALCULATED PROPERTIES

• Acid pKa: 11.205474
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.494123
• LogD (pH = 7.4): -1.9763408
• Log P: -0.22177726
• Molar Refractivity: 43.9807 cm^3
• Polarizability: 16.983902 Å^3
• Polar Surface Area: 61.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 154°C

Safety Information

• Storage Warning: Irritant