3-[4-(benzyloxy)phenoxymethyl]piperidine

• ChemBase ID: 20700
• Molecular Formular: C19H23NO2
• Molecular Mass: 297.39142
• Monoisotopic Mass: 297.17287898
• SMILES: N1CC(COc2ccc(OCc3ccccc3)cc2)CCC1
• Canonical SMILES: C1CCC(CN1)COc1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C19H23NO2/c1-2-5-16(6-3-1)14-21-18-8-10-19(11-9-18)22-15-17-7-4-12-20-13-17/h1-3,5-6,8-11,17,20H,4,7,12-15H2
• InChIKey: ZGZUSJFOLZMTLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08686875
• PubChem SID: 160984007
• PubChem CID: 45075333

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.30640486
• LogD (pH = 7.4): 0.96399206
• Log P: 3.5282922
• Molar Refractivity: 88.4726 cm^3
• Polarizability: 34.983818 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false