ethyl 1-(6-methylpyrazin-2-yl)piperidine-3-carboxylate

• ChemBase ID: 77494
• Molecular Formular: C13H19N3O2
• Molecular Mass: 249.30886
• Monoisotopic Mass: 249.14772686
• SMILES: N1(c2cncc(n2)C)CCCC(C1)C(=O)OCC
• Canonical SMILES: CCOC(=O)C1CCCN(C1)c1cncc(n1)C
• InChI: InChI=1S/C13H19N3O2/c1-3-18-13(17)11-5-4-6-16(9-11)12-8-14-7-10(2)15-12/h7-8,11H,3-6,9H2,1-2H3
• InChIKey: MTWGDARCNWTWJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-(6-methylpyrazin-2-yl)piperidine-3-carboxylate
• IUPAC Traditional name: ethyl 1-(6-methylpyrazin-2-yl)piperidine-3-carboxylate
• Synonyms: ethyl 1-(6-methylpyrazin-2-yl)piperidine-3-carboxylate; Ethyl 1-(6-methylpyrazin-2-yl)piperidine-3-carboxylate 97%

Database IDs

• CAS Number: 926921-61-1
• MDL Number: MFCD09817500
• PubChem SID: 162042366
• PubChem CID: 24229600

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1030165
• LogD (pH = 7.4): 1.1034867
• Log P: 1.1034926
• Molar Refractivity: 68.8234 cm^3
• Polarizability: 26.226242 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 97%