2-(4-fluorophenyl)piperidine hydrochloride

• ChemBase ID: 286630
• Molecular Formular: C11H15ClFN
• Molecular Mass: 215.6949032
• Monoisotopic Mass: 215.08770539
• SMILES: N1C(c2ccc(cc2)F)CCCC1.Cl
• Canonical SMILES: Fc1ccc(cc1)C1CCCCN1.Cl
• InChI: InChI=1S/C11H14FN.ClH/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;/h4-7,11,13H,1-3,8H2;1H
• InChIKey: YAVUREZBMQVFFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)piperidine hydrochloride
• IUPAC Traditional name: 2-(4-fluorophenyl)piperidine hydrochloride
• Synonyms: 2-(4-fluorophenyl)piperidine hydrochloride

Database IDs

• MDL Number: MFCD02178957
• PubChem SID: 180672161
• PubChem CID: 17749761

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.59331703
• LogD (pH = 7.4): 0.47531363
• Log P: 2.5844297
• Molar Refractivity: 51.3346 cm^3
• Polarizability: 19.976864 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 231 - 233°C
• Hydrophobicity(logP): 2.636

Product Information

• Purity: 95%