N'-hydroxy-2-(4-hydroxypiperidin-1-yl)ethanimidamide

• ChemBase ID: 275746
• Molecular Formular: C7H15N3O2
• Molecular Mass: 173.2129
• Monoisotopic Mass: 173.11642674
• SMILES: C(=N\O)(/CN1CCC(CC1)O)\N
• Canonical SMILES: O/N=C(/CN1CCC(CC1)O)\N
• InChI: InChI=1S/C7H15N3O2/c8-7(9-12)5-10-3-1-6(11)2-4-10/h6,11-12H,1-5H2,(H2,8,9)
• InChIKey: CNIZCAPLERLENN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-hydroxy-2-(4-hydroxypiperidin-1-yl)ethanimidamide
• IUPAC Traditional name: N'-hydroxy-2-(4-hydroxypiperidin-1-yl)ethanimidamide
• Synonyms: N'-hydroxy-2-(4-hydroxypiperidin-1-yl)ethanimidamide

Database IDs

• MDL Number: MFCD09950973
• PubChem SID: 164331656
• PubChem CID: 24711128

CALCULATED PROPERTIES

• Acid pKa: 10.969364
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -4.659586
• LogD (pH = 7.4): -2.9131007
• Log P: -1.7540838
• Molar Refractivity: 45.563 cm^3
• Polarizability: 17.637825 Å^3
• Polar Surface Area: 82.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182 - 184°C
• Hydrophobicity(logP): -1.224

Product Information

• Purity: 95%