4-(2-ethoxyphenoxy)piperidine

• ChemBase ID: 20946
• Molecular Formular: C13H19NO2
• Molecular Mass: 221.29546
• Monoisotopic Mass: 221.14157885
• SMILES: c1(OC2CCNCC2)c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1OC1CCNCC1
• InChI: InChI=1S/C13H19NO2/c1-2-15-12-5-3-4-6-13(12)16-11-7-9-14-10-8-11/h3-6,11,14H,2,7-10H2,1H3
• InChIKey: IPOFRRUDIUKVAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-ethoxyphenoxy)piperidine
• IUPAC Traditional name: 4-(2-ethoxyphenoxy)piperidine
• Synonyms: 4-(2-Ethoxyphenoxy)piperidine; 4-(2-Ethoxyphenoxy)piperidine; 4-(2-二乙氧基苯氧基)哌啶

Database IDs

• CAS Number: 420137-19-5
• MDL Number: MFCD08061063
• PubChem SID: 160984253
• PubChem CID: 24208861

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5489292
• LogD (pH = 7.4): -0.7046095
• Log P: 1.6584694
• Molar Refractivity: 63.8894 cm^3
• Polarizability: 25.371851 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A