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

• ChemBase ID: 246117
• Molecular Formular: C11H18ClN5
• Molecular Mass: 255.74712
• Monoisotopic Mass: 255.12507328
• SMILES: N1(c2cc(C(=N)N)ncc2)CCN(CC1)C.Cl
• Canonical SMILES: CN1CCN(CC1)c1ccnc(c1)C(=N)N.Cl
• InChI: InChI=1S/C11H17N5.ClH/c1-15-4-6-16(7-5-15)9-2-3-14-10(8-9)11(12)13;/h2-3,8H,4-7H2,1H3,(H3,12,13);1H
• InChIKey: FHJKVHARTGOXCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD23144222
• PubChem SID: 164302027
• PubChem CID: 71757884

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.402212
• LogD (pH = 7.4): -1.8092003
• Log P: 0.017055627
• Molar Refractivity: 75.6803 cm^3
• Polarizability: 24.265156 Å^3
• Polar Surface Area: 69.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 199 - 201°C
• Hydrophobicity(logP): 0.239

Product Information

• Purity: 95%