3-(4-ethoxyphenoxy)piperidine

• ChemBase ID: 20885
• Molecular Formular: C13H19NO2
• Molecular Mass: 221.29546
• Monoisotopic Mass: 221.14157885
• SMILES: N1CC(Oc2ccc(cc2)OCC)CCC1
• Canonical SMILES: CCOc1ccc(cc1)OC1CCCNC1
• InChI: InChI=1S/C13H19NO2/c1-2-15-11-5-7-12(8-6-11)16-13-4-3-9-14-10-13/h5-8,13-14H,2-4,9-10H2,1H3
• InChIKey: UBWCRUNRNUSIMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-ethoxyphenoxy)piperidine
• IUPAC Traditional name: 3-(4-ethoxyphenoxy)piperidine
• Synonyms: 3-(4-Ethoxyphenoxy)piperidine

Database IDs

• MDL Number: MFCD08687742
• PubChem SID: 160984192
• PubChem CID: 45075413

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0548344
• LogD (pH = 7.4): 0.051755752
• Log P: 2.1158724
• Molar Refractivity: 63.6686 cm^3
• Polarizability: 25.36931 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