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

• ChemBase ID: 307036
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: N1CCC(OCc2ncccc2)CC1
• Canonical SMILES: N1CCC(CC1)OCc1ccccn1
• InChI: InChI=1S/C11H16N2O/c1-2-6-13-10(3-1)9-14-11-4-7-12-8-5-11/h1-3,6,11-12H,4-5,7-9H2
• InChIKey: ITOWWMNWQAMHSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 136718-74-6
• MDL Number: MFCD09864286

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.8714936
• LogD (pH = 7.4): -2.1750336
• Log P: 0.3565802
• Molar Refractivity: 55.1024 cm^3
• Polarizability: 21.964733 Å^3
• Polar Surface Area: 34.15 Å^2