3-(4-phenoxyphenoxy)piperidine

• ChemBase ID: 20882
• Molecular Formular: C17H19NO2
• Molecular Mass: 269.33826
• Monoisotopic Mass: 269.14157885
• SMILES: N1CC(Oc2ccc(Oc3ccccc3)cc2)CCC1
• Canonical SMILES: C1CCC(CN1)Oc1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C17H19NO2/c1-2-5-14(6-3-1)19-15-8-10-16(11-9-15)20-17-7-4-12-18-13-17/h1-3,5-6,8-11,17-18H,4,7,12-13H2
• InChIKey: JLOHZNPPAVOVTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-phenoxyphenoxy)piperidine
• IUPAC Traditional name: 3-(4-phenoxyphenoxy)piperidine
• Synonyms: 3-(4-Phenoxyphenoxy)piperidine

Database IDs

• MDL Number: MFCD08688469
• PubChem SID: 160984189
• PubChem CID: 45075411

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.24745937
• LogD (pH = 7.4): 1.3598504
• Log P: 3.417023
• Molar Refractivity: 78.6976 cm^3
• Polarizability: 31.355314 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false