2-fluoro-6-(4-methylpiperidin-1-yl)pyridine

• ChemBase ID: 239164
• Molecular Formular: C11H15FN2
• Molecular Mass: 194.2486032
• Monoisotopic Mass: 194.12192671
• SMILES: n1c(N2CCC(CC2)C)cccc1F
• Canonical SMILES: CC1CCN(CC1)c1cccc(n1)F
• InChI: InChI=1S/C11H15FN2/c1-9-5-7-14(8-6-9)11-4-2-3-10(12)13-11/h2-4,9H,5-8H2,1H3
• InChIKey: UNWCPDRMNFZHSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-(4-methylpiperidin-1-yl)pyridine
• IUPAC Traditional name: 2-fluoro-6-(4-methylpiperidin-1-yl)pyridine
• Synonyms: 2-fluoro-6-(4-methylpiperidin-1-yl)pyridine

Database IDs

• MDL Number: MFCD14600139
• PubChem SID: 164295074
• PubChem CID: 61227617

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1320884
• LogD (pH = 7.4): 3.1320925
• Log P: 3.1320927
• Molar Refractivity: 56.5649 cm^3
• Polarizability: 20.54772 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.779

Product Information

• Purity: 95%