2-(piperidin-1-yl)ethanimidamide dihydrochloride

• ChemBase ID: 264442
• Molecular Formular: C7H17Cl2N3
• Molecular Mass: 214.13598
• Monoisotopic Mass: 213.07995292
• SMILES: N1(CC(=N)N)CCCCC1.Cl.Cl
• Canonical SMILES: NC(=N)CN1CCCCC1.Cl.Cl
• InChI: InChI=1S/C7H15N3.2ClH/c8-7(9)6-10-4-2-1-3-5-10;;/h1-6H2,(H3,8,9);2*1H
• InChIKey: DIKJLUSQBWYVKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)ethanimidamide dihydrochloride
• IUPAC Traditional name: 2-(piperidin-1-yl)ethanimidamide dihydrochloride
• Synonyms: 2-(piperidin-1-yl)ethanimidamide dihydrochloride

Database IDs

• MDL Number: MFCD13368221
• PubChem SID: 164320352
• PubChem CID: 47002206

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.772947
• LogD (pH = 7.4): -2.6247623
• Log P: -0.21859553
• Molar Refractivity: 52.631 cm^3
• Polarizability: 16.282911 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 227 - 229°C
• Hydrophobicity(logP): 0.31

Product Information

• Purity: 95%