2-(piperidin-1-yl)pyridine-3-carboximidamide dihydrochloride

• ChemBase ID: 264666
• Molecular Formular: C11H18Cl2N4
• Molecular Mass: 277.19342
• Monoisotopic Mass: 276.09085196
• SMILES: c1(c(C(=N)N)cccn1)N1CCCCC1.Cl.Cl
• Canonical SMILES: NC(=N)c1cccnc1N1CCCCC1.Cl.Cl
• InChI: InChI=1S/C11H16N4.2ClH/c12-10(13)9-5-4-6-14-11(9)15-7-2-1-3-8-15;;/h4-6H,1-3,7-8H2,(H3,12,13);2*1H
• InChIKey: FSHTYEMADIYEMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)pyridine-3-carboximidamide dihydrochloride
• IUPAC Traditional name: 2-(piperidin-1-yl)pyridine-3-carboximidamide dihydrochloride
• Synonyms: 2-(piperidin-1-yl)pyridine-3-carboximidamide dihydrochloride

Database IDs

• MDL Number: MFCD13368257
• PubChem SID: 164320576
• PubChem CID: 47002257

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.1849083
• LogD (pH = 7.4): -1.0700318
• Log P: 1.2289094
• Molar Refractivity: 72.4577 cm^3
• Polarizability: 22.73979 Å^3
• Polar Surface Area: 66.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 275 - 277°C
• Hydrophobicity(logP): 1.06

Product Information

• Purity: 95%