3-[(piperidin-3-yloxy)methyl]pyridine

• ChemBase ID: 307039
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: N1CC(OCc2cnccc2)CCC1
• Canonical SMILES: C1CCC(CN1)OCc1cccnc1
• InChI: InChI=1S/C11H16N2O/c1-3-10(7-12-5-1)9-14-11-4-2-6-13-8-11/h1,3,5,7,11,13H,2,4,6,8-9H2
• InChIKey: NGYNSMZIHJNHSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(piperidin-3-yloxy)methyl]pyridine
• IUPAC Traditional name: 3-[(piperidin-3-yloxy)methyl]pyridine
• Synonyms: 3-[(piperidin-3-yloxy)methyl]pyridine

Database IDs

• CAS Number: 933758-64-6
• MDL Number: MFCD09864289

CALCULATED PROPERTIES

• Polarizability: 21.963593 Å^3
• Polar Surface Area: 34.15 Å^2
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5180025
• LogD (pH = 7.4): -1.4698865
• Log P: 0.7325112
• Molar Refractivity: 55.4038 cm^3