4-(4-fluorophenyl)piperidine hydrochloride

• ChemBase ID: 19450
• Molecular Formular: C11H15ClFN
• Molecular Mass: 215.6949032
• Monoisotopic Mass: 215.08770539
• SMILES: N1CCC(c2ccc(cc2)F)CC1.Cl
• Canonical SMILES: Fc1ccc(cc1)C1CCNCC1.Cl
• InChI: InChI=1S/C11H14FN.ClH/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;/h1-4,10,13H,5-8H2;1H
• InChIKey: ILPIXXSCUKTFGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 6716-98-9
• MDL Number: MFCD01632528
• PubChem SID: 160982757
• PubChem CID: 21898168

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0011822
• LogD (pH = 7.4): -0.34867194
• Log P: 2.2210126
• Molar Refractivity: 51.6954 cm^3
• Polarizability: 19.902372 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 163 - 165°C
• Hydrophobicity(logP): 2.486

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%