4-bromo-2-(4-methylpiperidin-1-yl)pyridine

• ChemBase ID: 290880
• Molecular Formular: C11H15BrN2
• Molecular Mass: 255.1542
• Monoisotopic Mass: 254.04186049
• SMILES: CC1CCN(c2nccc(Br)c2)CC1
• Canonical SMILES: CC1CCN(CC1)c1nccc(c1)Br
• InChI: InChI=1S/C11H15BrN2/c1-9-3-6-14(7-4-9)11-8-10(12)2-5-13-11/h2,5,8-9H,3-4,6-7H2,1H3
• InChIKey: YTPQSQBCVZZSJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-(4-methylpiperidin-1-yl)pyridine
• IUPAC Traditional name: 4-bromo-2-(4-methylpiperidin-1-yl)pyridine
• Synonyms: 4-Bromo-2-(4-methylpiperidin-1-yl)pyridine

Database IDs

• CAS Number: 1142194-45-3
• PubChem SID: 180676411
• PubChem CID: 45787913

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1555755
• LogD (pH = 7.4): 3.3607843
• Log P: 3.3642125
• Molar Refractivity: 62.9566 cm^3
• Polarizability: 23.636387 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%