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

• ChemBase ID: 252451
• Molecular Formular: C15H24ClNO
• Molecular Mass: 269.81016
• Monoisotopic Mass: 269.15464207
• SMILES: N1CCC(CCc2ccc(cc2)OCC)CC1.Cl
• Canonical SMILES: CCOc1ccc(cc1)CCC1CCNCC1.Cl
• InChI: InChI=1S/C15H23NO.ClH/c1-2-17-15-7-5-13(6-8-15)3-4-14-9-11-16-12-10-14;/h5-8,14,16H,2-4,9-12H2,1H3;1H
• InChIKey: ZOEZADPFWMLIQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08457593
• PubChem SID: 164308361
• PubChem CID: 16336007

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.0650034
• LogD (pH = 7.4): 0.39132223
• Log P: 3.1665847
• Molar Refractivity: 71.8928 cm^3
• Polarizability: 28.32817 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.849

Product Information

• Purity: 95%
• Salt Data: HCl