methyl({[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl})amine

• ChemBase ID: 89639
• Molecular Formular: C12H20N4
• Molecular Mass: 220.314
• Monoisotopic Mass: 220.16879666
• SMILES: n1cc(nc(c1)N1CCC(CC1)CNC)C
• Canonical SMILES: CNCC1CCN(CC1)c1cncc(n1)C
• InChI: InChI=1S/C12H20N4/c1-10-7-14-9-12(15-10)16-5-3-11(4-6-16)8-13-2/h7,9,11,13H,3-6,8H2,1-2H3
• InChIKey: JFQVAQFGAKHEBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl})amine
• IUPAC Traditional name: methyl({[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl})amine
• Synonyms: N-methyl-[1-(6-methylpyrazin-2-yl)piperid-4-yl]methylamine; 4-[(Methylamino)methyl]-1-(6-methylpyrazin-2-yl)piperidine

Database IDs

• CAS Number: 887922-91-0
• MDL Number: MFCD09064987
• PubChem SID: 162076502
• PubChem CID: 24229595

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.761377
• LogD (pH = 7.4): -2.4756994
• Log P: 0.47613147
• Molar Refractivity: 66.0522 cm^3
• Polarizability: 25.127989 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 90%