N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-4-amine dihydrochloride

• ChemBase ID: 272029
• Molecular Formular: C11H20Cl2N4
• Molecular Mass: 279.2093
• Monoisotopic Mass: 278.10650202
• SMILES: c1(N2CCC(CC2)NC)cc(ncn1)C.Cl.Cl
• Canonical SMILES: CNC1CCN(CC1)c1ncnc(c1)C.Cl.Cl
• InChI: InChI=1S/C11H18N4.2ClH/c1-9-7-11(14-8-13-9)15-5-3-10(12-2)4-6-15;;/h7-8,10,12H,3-6H2,1-2H3;2*1H
• InChIKey: ULBCEFWHXQYWDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-4-amine dihydrochloride
• IUPAC Traditional name: N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-4-amine dihydrochloride
• Synonyms: N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-4-amine dihydrochloride

Database IDs

• MDL Number: MFCD18089485
• PubChem SID: 164327939
• PubChem CID: 50988375

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.2851882
• LogD (pH = 7.4): -2.2461743
• Log P: 0.5273652
• Molar Refractivity: 62.2123 cm^3
• Polarizability: 23.282597 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 218 - 220°C
• Hydrophobicity(logP): -0.075

Product Information

• Purity: 95%