4-(3,5-difluorophenyl)piperidine hydrochloride

• ChemBase ID: 800962
• Molecular Formular: C11H14ClF2N
• Molecular Mass: 233.6853664
• Monoisotopic Mass: 233.07828357
• SMILES: Cl.C1(CCNCC1)c1cc(cc(c1)F)F
• Canonical SMILES: Fc1cc(cc(c1)F)C1CCNCC1.Cl
• InChI: InChI=1S/C11H13F2N.ClH/c12-10-5-9(6-11(13)7-10)8-1-3-14-4-2-8;/h5-8,14H,1-4H2;1H
• InChIKey: PHJMPFBDUAVODB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,5-difluorophenyl)piperidine hydrochloride
• IUPAC Traditional name: 4-(3,5-difluorophenyl)piperidine hydrochloride
• Synonyms: 4-(3,5-Difluoro-phenyl)-piperidine hydrochloride

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8558809
• LogD (pH = 7.4): -0.16234702
• Log P: 2.3637147
• Molar Refractivity: 51.9118 cm^3
• Polarizability: 19.595583 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%