2-chloro-6-(piperidin-1-yl)pyrazine

• ChemBase ID: 48401
• Molecular Formular: C9H12ClN3
• Molecular Mass: 197.66468
• Monoisotopic Mass: 197.07197508
• SMILES: n1c(N2CCCCC2)cncc1Cl
• Canonical SMILES: Clc1cncc(n1)N1CCCCC1
• InChI: InChI=1S/C9H12ClN3/c10-8-6-11-7-9(12-8)13-4-2-1-3-5-13/h6-7H,1-5H2
• InChIKey: KPEYFRURKBQSGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(piperidin-1-yl)pyrazine
• IUPAC Traditional name: 2-chloro-6-(piperidin-1-yl)pyrazine
• Synonyms: 2-Chloro-6-(1-piperidinyl)pyrazine; 2-CHLORO-6-PIPERIDIN-1-YL-PYRAZINE

Database IDs

• CAS Number: 343856-62-2
• MDL Number: MFCD09864952
• PubChem SID: 162053164
• PubChem CID: 12802216

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.914988
• LogD (pH = 7.4): 1.9149903
• Log P: 1.9149903
• Molar Refractivity: 54.4944 cm^3
• Polarizability: 20.1198 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%