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

• ChemBase ID: 252417
• Molecular Formular: C14H22ClNO
• Molecular Mass: 255.78358
• Monoisotopic Mass: 255.13899201
• SMILES: N1CCC(CCc2ccc(cc2)OC)CC1.Cl
• Canonical SMILES: COc1ccc(cc1)CCC1CCNCC1.Cl
• InChI: InChI=1S/C14H21NO.ClH/c1-16-14-6-4-12(5-7-14)2-3-13-8-10-15-11-9-13;/h4-7,13,15H,2-3,8-11H2,1H3;1H
• InChIKey: OYXGINVUKGZCTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08456918
• PubChem SID: 164308327
• PubChem CID: 16325899

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.42181137
• LogD (pH = 7.4): 0.034514267
• Log P: 2.8097768
• Molar Refractivity: 67.1442 cm^3
• Polarizability: 26.482155 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 3.32

Product Information

• Purity: 95%
• Salt Data: HCl