4-[4-(benzyloxy)phenoxymethyl]piperidine

• ChemBase ID: 20787
• Molecular Formular: C19H23NO2
• Molecular Mass: 297.39142
• Monoisotopic Mass: 297.17287898
• SMILES: N1CCC(COc2ccc(OCc3ccccc3)cc2)CC1
• Canonical SMILES: N1CCC(CC1)COc1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C19H23NO2/c1-2-4-16(5-3-1)14-21-18-6-8-19(9-7-18)22-15-17-10-12-20-13-11-17/h1-9,17,20H,10-15H2
• InChIKey: QBVYAJIMGHTLOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08686876
• PubChem SID: 160984094
• PubChem CID: 26191086

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.25531447
• LogD (pH = 7.4): 0.71608526
• Log P: 3.4867353
• Molar Refractivity: 88.5714 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