[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methanamine

• ChemBase ID: 258643
• Molecular Formular: C11H18N4
• Molecular Mass: 206.28742
• Monoisotopic Mass: 206.1531466
• SMILES: N1(c2nccc(c2)CN)CCN(CC1)C
• Canonical SMILES: NCc1ccnc(c1)N1CCN(CC1)C
• InChI: InChI=1S/C11H18N4/c1-14-4-6-15(7-5-14)11-8-10(9-12)2-3-13-11/h2-3,8H,4-7,9,12H2,1H3
• InChIKey: DARIODHSSYWTII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-methylpiperazin-1-yl)pyridin-4-yl]methanamine
• IUPAC Traditional name: [2-(4-methylpiperazin-1-yl)pyridin-4-yl]methanamine
• Synonyms: [2-(4-methylpiperazin-1-yl)pyridin-4-yl]methanamine

Database IDs

• MDL Number: MFCD09258820
• PubChem SID: 164314553
• PubChem CID: 16782229

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.555449
• LogD (pH = 7.4): -1.8821226
• Log P: 0.4309628
• Molar Refractivity: 63.1667 cm^3
• Polarizability: 23.943087 Å^3
• Polar Surface Area: 45.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 72 - 74°C
• Hydrophobicity(logP): -0.469

Product Information

• Purity: 95%