4-{[(2-methoxyphenyl)methoxy]methyl}piperidine hydrochloride

• ChemBase ID: 47134
• Molecular Formular: C14H22ClNO2
• Molecular Mass: 271.78298
• Monoisotopic Mass: 271.13390663
• SMILES: c1(c(OC)cccc1)COCC1CCNCC1.Cl
• Canonical SMILES: COc1ccccc1COCC1CCNCC1.Cl
• InChI: InChI=1S/C14H21NO2.ClH/c1-16-14-5-3-2-4-13(14)11-17-10-12-6-8-15-9-7-12;/h2-5,12,15H,6-11H2,1H3;1H
• InChIKey: PUNCUVBTADQABN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[(2-methoxyphenyl)methoxy]methyl}piperidine hydrochloride
• IUPAC Traditional name: 4-{[(2-methoxyphenyl)methoxy]methyl}piperidine hydrochloride
• Synonyms: 4-{[(2-Methoxybenzyl)oxy]methyl}piperidine hydrochloride

Database IDs

• MDL Number: MFCD13561016
• PubChem SID: 162051897
• PubChem CID: 56831022

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4357113
• LogD (pH = 7.4): -0.97495663
• Log P: 1.7957102
• Molar Refractivity: 69.0627 cm^3
• Polarizability: 27.22504 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