3-(2-fluorophenyl)piperidine hydrochloride

• ChemBase ID: 19377
• Molecular Formular: C11H15ClFN
• Molecular Mass: 215.6949032
• Monoisotopic Mass: 215.08770539
• SMILES: c1(c(F)cccc1)C1CNCCC1.Cl
• Canonical SMILES: Fc1ccccc1C1CCCNC1.Cl
• InChI: InChI=1S/C11H14FN.ClH/c12-11-6-2-1-5-10(11)9-4-3-7-13-8-9;/h1-2,5-6,9,13H,3-4,7-8H2;1H
• InChIKey: YFEKQAMNFXCLBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluorophenyl)piperidine hydrochloride
• IUPAC Traditional name: 3-(2-fluorophenyl)piperidine hydrochloride
• Synonyms: 3-(2-Fluorophenyl)piperidine hydrochloride

Database IDs

• CAS Number: 1106940-90-2
• MDL Number: MFCD02178933
• PubChem SID: 160982684
• PubChem CID: 45073813

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9090573
• LogD (pH = 7.4): -0.0712196
• Log P: 2.2989664
• Molar Refractivity: 51.6184 cm^3
• Polarizability: 19.903423 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