3-[(2R)-1-methylpiperidin-2-yl]pyridine

• ChemBase ID: 801433
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: n1cc(ccc1)[C@@H]1N(CCCC1)C
• Canonical SMILES: CN1CCCC[C@@H]1c1cccnc1
• InChI: InChI=1S/C11H16N2/c1-13-8-3-2-6-11(13)10-5-4-7-12-9-10/h4-5,7,9,11H,2-3,6,8H2,1H3/t11-/m1/s1
• InChIKey: WHAIHNKQZOMXJJ-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2R)-1-methylpiperidin-2-yl]pyridine
• IUPAC Traditional name: 3-[(2R)-1-methylpiperidin-2-yl]pyridine
• Synonyms: 3-[(2R)-1-METHYLPIPERIDIN-2-YL]PYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.4317534
• LogD (pH = 7.4): 0.26787996
• Log P: 1.6071033
• Molar Refractivity: 54.256 cm^3
• Polarizability: 21.295595 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%