2-(piperidin-1-yl)pyridine-4-carboximidamide hydrochloride

• ChemBase ID: 263851
• Molecular Formular: C11H17ClN4
• Molecular Mass: 240.73248
• Monoisotopic Mass: 240.11417424
• SMILES: c1(N2CCCCC2)cc(C(=N)N)ccn1.Cl
• Canonical SMILES: NC(=N)c1ccnc(c1)N1CCCCC1.Cl
• InChI: InChI=1S/C11H16N4.ClH/c12-11(13)9-4-5-14-10(8-9)15-6-2-1-3-7-15;/h4-5,8H,1-3,6-7H2,(H3,12,13);1H
• InChIKey: BNCRMDZAEBEELD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)pyridine-4-carboximidamide hydrochloride
• IUPAC Traditional name: 2-(piperidin-1-yl)pyridine-4-carboximidamide hydrochloride
• Synonyms: 2-(piperidin-1-yl)pyridine-4-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD13196183
• PubChem SID: 164319761
• PubChem CID: 45792432

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.1866307
• LogD (pH = 7.4): -1.1549891
• Log P: 1.2289094
• Molar Refractivity: 72.4577 cm^3
• Polarizability: 22.737617 Å^3
• Polar Surface Area: 66.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 259 - 261°C
• Hydrophobicity(logP): 1.06

Product Information

• Purity: 95%