5-[(4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine

• ChemBase ID: 244757
• Molecular Formular: C14H24N4
• Molecular Mass: 248.36716
• Monoisotopic Mass: 248.20009679
• SMILES: N1(Cc2cnc(NCCC)cc2)CCN(CC1)C
• Canonical SMILES: CCCNc1ccc(cn1)CN1CCN(CC1)C
• InChI: InChI=1S/C14H24N4/c1-3-6-15-14-5-4-13(11-16-14)12-18-9-7-17(2)8-10-18/h4-5,11H,3,6-10,12H2,1-2H3,(H,15,16)
• InChIKey: MXYJRSZZCTVRNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine
• IUPAC Traditional name: 5-[(4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine
• Synonyms: 5-[(4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine

Database IDs

• MDL Number: MFCD17311176
• PubChem SID: 164300667
• PubChem CID: 55046013

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2407159
• LogD (pH = 7.4): 0.6295473
• Log P: 1.4906558
• Molar Refractivity: 78.2738 cm^3
• Polarizability: 29.478662 Å^3
• Polar Surface Area: 31.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69 - 71°C
• Hydrophobicity(logP): 2.363

Product Information

• Purity: 95%