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

• ChemBase ID: 46479
• Molecular Formular: C14H22ClNO2
• Molecular Mass: 271.78298
• Monoisotopic Mass: 271.13390663
• SMILES: N1CCC(CCOc2c(OC)cccc2)CC1.Cl
• Canonical SMILES: COc1ccccc1OCCC1CCNCC1.Cl
• InChI: InChI=1S/C14H21NO2.ClH/c1-16-13-4-2-3-5-14(13)17-11-8-12-6-9-15-10-7-12;/h2-5,12,15H,6-11H2,1H3;1H
• InChIKey: IILOZZBKAJSYBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(2-methoxyphenoxy)ethyl]piperidine hydrochloride
• IUPAC Traditional name: 4-[2-(2-methoxyphenoxy)ethyl]piperidine hydrochloride
• Synonyms: 2-Methoxyphenyl 2-(4-piperidinyl)ethyl ether hydrochloride

Database IDs

• MDL Number: MFCD13560366
• PubChem SID: 162051242
• PubChem CID: 22248507

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1027086
• LogD (pH = 7.4): -0.6463186
• Log P: 2.1288772
• Molar Refractivity: 68.6368 cm^3
• Polarizability: 27.216017 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false