4-[(2,6-difluorophenyl)methoxy]piperidine hydrochloride

• ChemBase ID: 47362
• Molecular Formular: C12H16ClF2NO
• Molecular Mass: 263.7113464
• Monoisotopic Mass: 263.08884826
• SMILES: c1(COC2CCNCC2)c(F)cccc1F.Cl
• Canonical SMILES: Fc1cccc(c1COC1CCNCC1)F.Cl
• InChI: InChI=1S/C12H15F2NO.ClH/c13-11-2-1-3-12(14)10(11)8-16-9-4-6-15-7-5-9;/h1-3,9,15H,4-8H2;1H
• InChIKey: WZRSWFCMCDCHCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2,6-difluorophenyl)methoxy]piperidine hydrochloride
• IUPAC Traditional name: 4-[(2,6-difluorophenyl)methoxy]piperidine hydrochloride
• Synonyms: 4-[(2,6-Difluorobenzyl)oxy]piperidine hydrochloride

Database IDs

• MDL Number: MFCD13561229
• PubChem SID: 162052125
• PubChem CID: 56831230

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4417492
• LogD (pH = 7.4): -0.7533262
• Log P: 1.7781847
• Molar Refractivity: 58.2143 cm^3
• Polarizability: 22.228102 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false