2-bromo-5-(3-methylpiperidin-1-yl)pyrazine

• ChemBase ID: 804139
• Molecular Formular: C10H14BrN3
• Molecular Mass: 256.14226
• Monoisotopic Mass: 255.03710946
• SMILES: c1c(ncc(n1)N1CCCC(C1)C)Br
• Canonical SMILES: CC1CCCN(C1)c1cnc(cn1)Br
• InChI: InChI=1S/C10H14BrN3/c1-8-3-2-4-14(7-8)10-6-12-9(11)5-13-10/h5-6,8H,2-4,7H2,1H3
• InChIKey: OPBZGAADUOEBFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-(3-methylpiperidin-1-yl)pyrazine
• IUPAC Traditional name: 2-bromo-5-(3-methylpiperidin-1-yl)pyrazine
• Synonyms: 2-BROMO-5-(3-METHYLPIPERIDIN-1-YL)PYRAZINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4300067
• LogD (pH = 7.4): 2.4300158
• Log P: 2.430016
• Molar Refractivity: 61.5649 cm^3
• Polarizability: 22.863926 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%