3-(4-fluorophenyl)piperidine hydrochloride

• ChemBase ID: 19374
• Molecular Formular: C11H15ClFN
• Molecular Mass: 215.6949032
• Monoisotopic Mass: 215.08770539
• SMILES: N1CC(c2ccc(cc2)F)CCC1.Cl
• Canonical SMILES: Fc1ccc(cc1)C1CCCNC1.Cl
• InChI: InChI=1S/C11H14FN.ClH/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10;/h3-6,10,13H,1-2,7-8H2;1H
• InChIKey: DGGGTQAVNWSYAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-fluorophenyl)piperidine hydrochloride
• IUPAC Traditional name: 3-(4-fluorophenyl)piperidine hydrochloride
• Synonyms: 3-(4-Fluorophenyl)piperidine hydrochloride

Database IDs

• CAS Number: 1106940-94-6
• MDL Number: MFCD02178931
• PubChem SID: 160982681
• PubChem CID: 45073812

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.92102367
• LogD (pH = 7.4): -0.23345593
• Log P: 2.2989664
• Molar Refractivity: 51.6184 cm^3
• Polarizability: 19.901676 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false