3-(2-ethoxyphenoxy)piperidine

• ChemBase ID: 20853
• Molecular Formular: C13H19NO2
• Molecular Mass: 221.29546
• Monoisotopic Mass: 221.14157885
• SMILES: c1(OC2CNCCC2)c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1OC1CCCNC1
• InChI: InChI=1S/C13H19NO2/c1-2-15-12-7-3-4-8-13(12)16-11-6-5-9-14-10-11/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3
• InChIKey: FHQAQESFJQHBCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-ethoxyphenoxy)piperidine
• IUPAC Traditional name: 3-(2-ethoxyphenoxy)piperidine
• Synonyms: 3-(2-Ethoxyphenoxy)piperidine

Database IDs

• MDL Number: MFCD08061107
• PubChem SID: 160984160
• PubChem CID: 44721295

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0462786
• LogD (pH = 7.4): 0.10157635
• Log P: 2.1158724
• Molar Refractivity: 63.6686 cm^3
• Polarizability: 25.371796 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