[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methanamine dihydrochloride

• ChemBase ID: 263061
• Molecular Formular: C11H20Cl2N4
• Molecular Mass: 279.2093
• Monoisotopic Mass: 278.10650202
• SMILES: N1(c2ncc(cc2)CN)CCN(CC1)C.Cl.Cl
• Canonical SMILES: NCc1ccc(nc1)N1CCN(CC1)C.Cl.Cl
• InChI: InChI=1S/C11H18N4.2ClH/c1-14-4-6-15(7-5-14)11-3-2-10(8-12)9-13-11;;/h2-3,9H,4-8,12H2,1H3;2*1H
• InChIKey: MXRDHEMGSIKEAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(4-methylpiperazin-1-yl)pyridin-3-yl]methanamine dihydrochloride
• IUPAC Traditional name: [6-(4-methylpiperazin-1-yl)pyridin-3-yl]methanamine dihydrochloride
• Synonyms: [6-(4-methylpiperazin-1-yl)pyridin-3-yl]methanamine dihydrochloride

Database IDs

• MDL Number: MFCD13195954
• PubChem SID: 164318971
• PubChem CID: 45792230

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.5527887
• LogD (pH = 7.4): -1.802523
• Log P: 0.4309628
• Molar Refractivity: 63.1667 cm^3
• Polarizability: 23.943327 Å^3
• Polar Surface Area: 45.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.163

Product Information

• Purity: 95%