4-(benzyloxy)piperidine

• ChemBase ID: 252122
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: N1CCC(OCc2ccccc2)CC1
• Canonical SMILES: N1CCC(CC1)OCc1ccccc1
• InChI: InChI=1S/C12H17NO/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2
• InChIKey: ILJHWVWEYBJDDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)piperidine
• IUPAC Traditional name: 4-(benzyloxy)piperidine
• Synonyms: 4-(benzyloxy)piperidine

Database IDs

• CAS Number: 76716-51-3
• MDL Number: MFCD07186358
• PubChem SID: 164308032
• PubChem CID: 3157460

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7271531
• LogD (pH = 7.4): -1.03873
• Log P: 1.4927807
• Molar Refractivity: 57.7815 cm^3
• Polarizability: 22.882162 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 22 - 24°C
• Hydrophobicity(logP): 1.532

Product Information

• Purity: 95%