2-[2-(3-methoxyphenoxy)ethyl]piperidine hydrochloride

• ChemBase ID: 46561
• Molecular Formular: C14H22ClNO2
• Molecular Mass: 271.78298
• Monoisotopic Mass: 271.13390663
• SMILES: N1C(CCOc2cc(OC)ccc2)CCCC1.Cl
• Canonical SMILES: COc1cccc(c1)OCCC1CCCCN1.Cl
• InChI: InChI=1S/C14H21NO2.ClH/c1-16-13-6-4-7-14(11-13)17-10-8-12-5-2-3-9-15-12;/h4,6-7,11-12,15H,2-3,5,8-10H2,1H3;1H
• InChIKey: ALXIMVFERDZDIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(3-methoxyphenoxy)ethyl]piperidine hydrochloride
• IUPAC Traditional name: 2-[2-(3-methoxyphenoxy)ethyl]piperidine hydrochloride
• Synonyms: 3-Methoxyphenyl 2-(2-piperidinyl)ethyl ether hydrochloride

Database IDs

• MDL Number: MFCD13560448
• PubChem SID: 162051324
• PubChem CID: 56830224

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9619419
• LogD (pH = 7.4): -0.36903936
• Log P: 2.2635927
• Molar Refractivity: 68.3864 cm^3
• Polarizability: 27.21448 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