4-[(benzyloxy)methyl]piperidine

• ChemBase ID: 115863
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: N1CCC(COCc2ccccc2)CC1
• Canonical SMILES: N1CCC(CC1)COCc1ccccc1
• InChI: InChI=1S/C13H19NO/c1-2-4-12(5-3-1)10-15-11-13-6-8-14-9-7-13/h1-5,13-14H,6-11H2
• InChIKey: SOELBQXHXWNGLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(benzyloxy)methyl]piperidine
• IUPAC Traditional name: 4-[(benzyloxy)methyl]piperidine
• Synonyms: 4-[(benzyloxy)methyl]piperidine hydrochloride

Database IDs

• MDL Number: MFCD09879195
• PubChem SID: 162101423
• PubChem CID: 6484121

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.27804
• LogD (pH = 7.4): -0.81728536
• Log P: 1.9533815
• Molar Refractivity: 62.5995 cm^3
• Polarizability: 24.728235 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.424

Product Information

• Purity: 95+%
• Salt Data: HCl