3-[4-(benzyloxy)phenoxy]piperidine

• ChemBase ID: 20884
• Molecular Formular: C18H21NO2
• Molecular Mass: 283.36484
• Monoisotopic Mass: 283.15722892
• SMILES: N1CC(Oc2ccc(OCc3ccccc3)cc2)CCC1
• Canonical SMILES: C1CCC(CN1)Oc1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C18H21NO2/c1-2-5-15(6-3-1)14-20-16-8-10-17(11-9-16)21-18-7-4-12-19-13-18/h1-3,5-6,8-11,18-19H,4,7,12-14H2
• InChIKey: MHFLLKCOCWRQHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[4-(benzyloxy)phenoxy]piperidine
• IUPAC Traditional name: 3-[4-(benzyloxy)phenoxy]piperidine
• Synonyms: 3-[4-(Benzyloxy)phenoxy]piperidine

Database IDs

• MDL Number: MFCD08686877
• PubChem SID: 160984191
• PubChem CID: 45075412

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.31291607
• LogD (pH = 7.4): 1.4199419
• Log P: 3.4835374
• Molar Refractivity: 83.5326 cm^3
• Polarizability: 33.137955 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false