2-bromo-5-(4-methylpiperidin-1-yl)pyrazine

• ChemBase ID: 804137
• Molecular Formular: C10H14BrN3
• Molecular Mass: 256.14226
• Monoisotopic Mass: 255.03710946
• SMILES: c1c(ncc(n1)N1CCC(CC1)C)Br
• Canonical SMILES: CC1CCN(CC1)c1ncc(nc1)Br
• InChI: InChI=1S/C10H14BrN3/c1-8-2-4-14(5-3-8)10-7-12-9(11)6-13-10/h6-8H,2-5H2,1H3
• InChIKey: OQUZHHSUBVTGHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-(4-methylpiperidin-1-yl)pyrazine
• IUPAC Traditional name: 2-bromo-5-(4-methylpiperidin-1-yl)pyrazine
• Synonyms: 2-BROMO-5-(4-METHYLPIPERIDIN-1-YL)PYRAZINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.352053
• LogD (pH = 7.4): 2.352062
• Log P: 2.3520622
• Molar Refractivity: 61.6419 cm^3
• Polarizability: 22.863934 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%