3-(2-methoxyphenoxy)piperidine hydrochloride

• ChemBase ID: 47181
• Molecular Formular: C12H18ClNO2
• Molecular Mass: 243.72982
• Monoisotopic Mass: 243.1026065
• SMILES: c1(OC2CNCCC2)c(OC)cccc1.Cl
• Canonical SMILES: COc1ccccc1OC1CCCNC1.Cl
• InChI: InChI=1S/C12H17NO2.ClH/c1-14-11-6-2-3-7-12(11)15-10-5-4-8-13-9-10;/h2-3,6-7,10,13H,4-5,8-9H2,1H3;1H
• InChIKey: XXYQWLMWDLHQOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenoxy)piperidine hydrochloride
• IUPAC Traditional name: 3-(2-methoxyphenoxy)piperidine hydrochloride
• Synonyms: 3-(2-Methoxyphenoxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD13561062
• PubChem SID: 162051944
• PubChem CID: 53409234

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4031662
• LogD (pH = 7.4): -0.2556735
• Log P: 1.7590644
• Molar Refractivity: 58.92 cm^3
• Polarizability: 23.528578 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false