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

• ChemBase ID: 264011
• Molecular Formular: C11H17ClN4
• Molecular Mass: 240.73248
• Monoisotopic Mass: 240.11417424
• SMILES: c1(c(C(=N)N)cccn1)N1CCCCC1.Cl
• Canonical SMILES: NC(=N)c1cccnc1N1CCCCC1.Cl
• InChI: InChI=1S/C11H16N4.ClH/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);1H
• InChIKey: DGNWZQHZQOHTIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13368200
• PubChem SID: 164319921
• PubChem CID: 47002179

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

• Hydrophobicity(logP): 1.06

Product Information

• Purity: 95%