3-(3-fluorophenyl)piperidine hydrochloride

• ChemBase ID: 19375
• Molecular Formular: C11H15ClFN
• Molecular Mass: 215.6949032
• Monoisotopic Mass: 215.08770539
• SMILES: c1(cc(F)ccc1)C1CNCCC1.Cl
• Canonical SMILES: Fc1cccc(c1)C1CCCNC1.Cl
• InChI: InChI=1S/C11H14FN.ClH/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10;/h1,3,5,7,10,13H,2,4,6,8H2;1H
• InChIKey: MXCZNHNUNCBCBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 100240-20-8
• MDL Number: MFCD02178932
• PubChem SID: 160982682
• PubChem CID: 19095626

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.91795224
• LogD (pH = 7.4): -0.18611404
• Log P: 2.2989664
• Molar Refractivity: 51.6184 cm^3
• Polarizability: 19.902075 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