2-(4-methylpiperazine-1-carbonyl)pyridin-4-amine

• ChemBase ID: 247149
• Molecular Formular: C11H16N4O
• Molecular Mass: 220.27094
• Monoisotopic Mass: 220.13241115
• SMILES: C(=O)(N1CCN(CC1)C)c1cc(N)ccn1
• Canonical SMILES: CN1CCN(CC1)C(=O)c1nccc(c1)N
• InChI: InChI=1S/C11H16N4O/c1-14-4-6-15(7-5-14)11(16)10-8-9(12)2-3-13-10/h2-3,8H,4-7H2,1H3,(H2,12,13)
• InChIKey: QDELEMUAOBPFMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methylpiperazine-1-carbonyl)pyridin-4-amine
• IUPAC Traditional name: 2-(4-methylpiperazine-1-carbonyl)pyridin-4-amine
• Synonyms: 2-(4-methylpiperazine-1-carbonyl)pyridin-4-amine

Database IDs

• MDL Number: MFCD16719394
• PubChem SID: 164303059
• PubChem CID: 62154156

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.8336458
• LogD (pH = 7.4): -0.6245409
• Log P: -0.5423902
• Molar Refractivity: 63.1514 cm^3
• Polarizability: 23.417688 Å^3
• Polar Surface Area: 62.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133 - 135°C
• Hydrophobicity(logP): -0.024

Product Information

• Purity: 95%