3-(4-benzylphenoxy)piperidine

• ChemBase ID: 20895
• Molecular Formular: C18H21NO
• Molecular Mass: 267.36544
• Monoisotopic Mass: 267.1623143
• SMILES: N1CC(Oc2ccc(Cc3ccccc3)cc2)CCC1
• Canonical SMILES: C1CCC(CN1)Oc1ccc(cc1)Cc1ccccc1
• InChI: InChI=1S/C18H21NO/c1-2-5-15(6-3-1)13-16-8-10-17(11-9-16)20-18-7-4-12-19-14-18/h1-3,5-6,8-11,18-19H,4,7,12-14H2
• InChIKey: OIWXGWDXIVFCBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-benzylphenoxy)piperidine
• IUPAC Traditional name: 3-(4-benzylphenoxy)piperidine
• Synonyms: 3-(4-Benzylphenoxy)piperidine

Database IDs

• CAS Number: 946681-24-9
• MDL Number: MFCD08686907
• PubChem SID: 160984202
• PubChem CID: 45075420

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8394998
• LogD (pH = 7.4): 1.9545662
• Log P: 4.0085297
• Molar Refractivity: 82.194 cm^3
• Polarizability: 32.42216 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false