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

• ChemBase ID: 307037
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: N1CCC(OCc2cnccc2)CC1
• Canonical SMILES: N1CCC(CC1)OCc1cccnc1
• InChI: InChI=1S/C11H16N2O/c1-2-10(8-13-5-1)9-14-11-3-6-12-7-4-11/h1-2,5,8,11-12H,3-4,6-7,9H2
• InChIKey: KTJBVZFNQRJDHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(piperidin-4-yloxy)methyl]pyridine
• IUPAC Traditional name: 3-[(piperidin-4-yloxy)methyl]pyridine
• Synonyms: 3-[(piperidin-4-yloxy)methyl]pyridine

Database IDs

• CAS Number: 1185319-59-8
• MDL Number: MFCD09864287

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0049746
• LogD (pH = 7.4): -2.257228
• Log P: 0.2751083
• Molar Refractivity: 55.6246 cm^3
• Polarizability: 21.963593 Å^3
• Polar Surface Area: 34.15 Å^2