4-(3-fluorophenyl)piperidine hydrochloride

• ChemBase ID: 19449
• Molecular Formular: C11H15ClFN
• Molecular Mass: 215.6949032
• Monoisotopic Mass: 215.08770539
• SMILES: c1(cc(F)ccc1)C1CCNCC1.Cl
• Canonical SMILES: Fc1cccc(c1)C1CCNCC1.Cl
• InChI: InChI=1S/C11H14FN.ClH/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9;/h1-3,8-9,13H,4-7H2;1H
• InChIKey: KZWKZINPPPZZCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 104774-94-9
• MDL Number: MFCD02178901
• PubChem SID: 160982756
• PubChem CID: 44828657

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.99983823
• LogD (pH = 7.4): -0.3256003
• Log P: 2.2210126
• Molar Refractivity: 51.6954 cm^3
• Polarizability: 19.902761 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 55 - 57°C
• Hydrophobicity(logP): 2.486

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%