[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methanamine

• ChemBase ID: 101405
• Molecular Formular: C11H18N4
• Molecular Mass: 206.28742
• Monoisotopic Mass: 206.1531466
• SMILES: N1(c2nc(cnc2)C)CCC(CC1)CN
• Canonical SMILES: NCC1CCN(CC1)c1cncc(n1)C
• InChI: InChI=1S/C11H18N4/c1-9-7-13-8-11(14-9)15-4-2-10(6-12)3-5-15/h7-8,10H,2-6,12H2,1H3
• InChIKey: XVEZCDMRMDBGQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(6-methylpyrazin-2-yl)piperidin-4-yl]methanamine
• IUPAC Traditional name: [1-(6-methylpyrazin-2-yl)piperidin-4-yl]methanamine
• Synonyms: [1-(6-methylpyrazin-2-yl)piperid-4-yl]methylamine

Database IDs

• CAS Number: 892502-20-4
• MDL Number: MFCD09025897
• PubChem SID: 162087935
• PubChem CID: 18525899

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.9813378
• LogD (pH = 7.4): -2.568061
• Log P: 0.043551065
• Molar Refractivity: 61.2776 cm^3
• Polarizability: 23.28544 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%