4-(2-ethoxyphenoxymethyl)piperidine

• ChemBase ID: 20765
• Molecular Formular: C14H21NO2
• Molecular Mass: 235.32204
• Monoisotopic Mass: 235.15722892
• SMILES: N1CCC(COc2c(OCC)cccc2)CC1
• Canonical SMILES: CCOc1ccccc1OCC1CCNCC1
• InChI: InChI=1S/C14H21NO2/c1-2-16-13-5-3-4-6-14(13)17-11-12-7-9-15-10-8-12/h3-6,12,15H,2,7-11H2,1H3
• InChIKey: SJYKCLPHWGFPAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-ethoxyphenoxymethyl)piperidine
• IUPAC Traditional name: 4-(2-ethoxyphenoxymethyl)piperidine
• Synonyms: 4-[(2-Ethoxyphenoxy)methyl]piperidine

Database IDs

• MDL Number: MFCD08687738
• PubChem SID: 160984072
• PubChem CID: 22248224

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1123507
• LogD (pH = 7.4): -0.6515799
• Log P: 2.1190703
• Molar Refractivity: 68.7074 cm^3
• Polarizability: 27.215847 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false