3-(benzyloxy)piperidine

• ChemBase ID: 306642
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: N1CC(OCc2ccccc2)CCC1
• Canonical SMILES: C1CCC(CN1)OCc1ccccc1
• InChI: InChI=1S/C12H17NO/c1-2-5-11(6-3-1)10-14-12-7-4-8-13-9-12/h1-3,5-6,12-13H,4,7-10H2
• InChIKey: VOVVHNIABAJHJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)piperidine
• IUPAC Traditional name: 3-(benzyloxy)piperidine
• Synonyms: 3-(benzyloxy)piperidine

Database IDs

• CAS Number: 37098-74-1
• MDL Number: MFCD08669773

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2401818
• LogD (pH = 7.4): -0.25138912
• Log P: 1.9501836
• Molar Refractivity: 57.5607 cm^3
• Polarizability: 22.882162 Å^3
• Polar Surface Area: 21.26 Å^2