4-[2-(2-ethylphenoxy)ethyl]piperidine hydrochloride

• ChemBase ID: 46531
• Molecular Formular: C15H24ClNO
• Molecular Mass: 269.81016
• Monoisotopic Mass: 269.15464207
• SMILES: N1CCC(CCOc2c(CC)cccc2)CC1.Cl
• Canonical SMILES: CCc1ccccc1OCCC1CCNCC1.Cl
• InChI: InChI=1S/C15H23NO.ClH/c1-2-14-5-3-4-6-15(14)17-12-9-13-7-10-16-11-8-13;/h3-6,13,16H,2,7-12H2,1H3;1H
• InChIKey: KPOZXJYFHHLVFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(2-ethylphenoxy)ethyl]piperidine hydrochloride
• IUPAC Traditional name: 4-[2-(2-ethylphenoxy)ethyl]piperidine hydrochloride
• Synonyms: 4-[2-(2-Ethylphenoxy)ethyl]piperidine hydrochloride

Database IDs

• MDL Number: MFCD13560418
• PubChem SID: 162051294
• PubChem CID: 56830173

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.012952734
• LogD (pH = 7.4): 0.4693427
• Log P: 3.2445385
• Molar Refractivity: 71.8158 cm^3
• Polarizability: 28.329926 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false