4-(2-ethoxyphenoxy)piperidine hydrochloride

• ChemBase ID: 262356
• Molecular Formular: C13H20ClNO2
• Molecular Mass: 257.7564
• Monoisotopic Mass: 257.11825657
• SMILES: c1(OC2CCNCC2)c(OCC)cccc1.Cl
• Canonical SMILES: CCOc1ccccc1OC1CCNCC1.Cl
• InChI: InChI=1S/C13H19NO2.ClH/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;1H
• InChIKey: ZAGYEWPUWHDRRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-ethoxyphenoxy)piperidine hydrochloride
• IUPAC Traditional name: 4-(2-ethoxyphenoxy)piperidine hydrochloride
• Synonyms: 4-(2-ethoxyphenoxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD12913143
• PubChem SID: 164318266
• PubChem CID: 45792041

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

Physical Property

• Melting Point: 155 - 157°C
• Hydrophobicity(logP): 1.941

Product Information

• Purity: 95%