4-methyl-2-(piperidin-4-yloxy)pyridine

• ChemBase ID: 247331
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: c1(nccc(c1)C)OC1CCNCC1
• Canonical SMILES: Cc1ccnc(c1)OC1CCNCC1
• InChI: InChI=1S/C11H16N2O/c1-9-2-7-13-11(8-9)14-10-3-5-12-6-4-10/h2,7-8,10,12H,3-6H2,1H3
• InChIKey: AULZLBAUAQRVEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-(piperidin-4-yloxy)pyridine
• IUPAC Traditional name: 4-methyl-2-(piperidin-4-yloxy)pyridine
• Synonyms: 4-methyl-2-(piperidin-4-yloxy)pyridine

Database IDs

• MDL Number: MFCD16713776
• PubChem SID: 164303241
• PubChem CID: 45786818

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8644276
• LogD (pH = 7.4): -1.013549
• Log P: 1.3495393
• Molar Refractivity: 55.8754 cm^3
• Polarizability: 21.87833 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.576

Product Information

• Purity: 95%