2-chloro-6-(4-methylpiperidin-1-yl)pyrazine

• ChemBase ID: 48409
• Molecular Formular: C10H14ClN3
• Molecular Mass: 211.69126
• Monoisotopic Mass: 211.08762514
• SMILES: n1c(N2CCC(CC2)C)cncc1Cl
• Canonical SMILES: CC1CCN(CC1)c1cncc(n1)Cl
• InChI: InChI=1S/C10H14ClN3/c1-8-2-4-14(5-3-8)10-7-12-6-9(11)13-10/h6-8H,2-5H2,1H3
• InChIKey: VBKTYBAQFJUFJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(4-methylpiperidin-1-yl)pyrazine
• IUPAC Traditional name: 2-chloro-6-(4-methylpiperidin-1-yl)pyrazine
• Synonyms: 2-Chloro-6-(4-methyl-1-piperidinyl)pyrazine

Database IDs

• MDL Number: MFCD10614662
• PubChem SID: 162053172
• PubChem CID: 25539137

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.202007
• LogD (pH = 7.4): 2.2020094
• Log P: 2.2020094
• Molar Refractivity: 59.043 cm^3
• Polarizability: 21.954561 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