[1-(6-methylpyrazin-2-yl)piperidin-3-yl]methanamine

• ChemBase ID: 77756
• Molecular Formular: C11H18N4
• Molecular Mass: 206.28742
• Monoisotopic Mass: 206.1531466
• SMILES: n1c(cncc1C)N1CC(CCC1)CN
• Canonical SMILES: NCC1CCCN(C1)c1cncc(n1)C
• InChI: InChI=1S/C11H18N4/c1-9-6-13-7-11(14-9)15-4-2-3-10(5-12)8-15/h6-7,10H,2-5,8,12H2,1H3
• InChIKey: JHPOBBOJQWUTSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(6-methylpyrazin-2-yl)piperidin-3-yl]methanamine
• IUPAC Traditional name: [1-(6-methylpyrazin-2-yl)piperidin-3-yl]methanamine
• Synonyms: [1-(6-methylpyrazin-2-yl)piperid-3-yl]methylamine; 2-[(3-Aminomethyl)piperidin-1-yl]-6-methylpyrazine 97%

Database IDs

• CAS Number: 941716-82-1
• MDL Number: MFCD09879917
• PubChem SID: 162042625
• PubChem CID: 24229599

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.9273822
• LogD (pH = 7.4): -2.2512698
• Log P: 0.08510779
• Molar Refractivity: 61.1788 cm^3
• Polarizability: 23.28543 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%