Description

4-Fluoropiperidine hydrochloride (CAS: 57395-89-8) is a high-purity organic compound with the molecular formula C₅H₁₁ClFN. This hydrochloride salt of 4-fluoropiperidine is a valuable building block in pharmaceutical and agrochemical research, offering a reactive fluorinated piperidine scaffold for drug discovery and medicinal chemistry applications. The compound is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for synthetic workflows. Its stability under inert conditions makes it suitable for long-term storage when kept in a cool, dry environment. Researchers utilize this intermediate for the introduction of fluorinated piperidine moieties into target molecules, leveraging the unique electronic and steric properties imparted by the fluorine substituent.

Properties

• CAS Number: 57395-89-8
• Complexity: 50
• IUPAC Name: 4-fluoropiperidine;hydrochloride
• InChI: InChI=1S/C5H10FN.ClH/c6-5-1-3-7-4-2-5;/h5,7H,1-4H2;1H
• InChI Key: IXENWFQXVCOHAZ-UHFFFAOYSA-N
• Exact Mass: 139.0564052
• Molecular Formula: C5H11ClFN
• Molecular Weight: 139.60
• SMILES: C1CNCCC1F.Cl
• Topological: 12
• Monoisotopic Mass: 139.0564052
• Synonyms: 4-Fluoropiperidine hydrochloride, 57395-89-8, DTXSID90374661, DTXCID70325691, 624-705-3, 948-889-2, 4-FLUOROPIPERIDINE HCl, 4-fluoropiperidine;hydrochloride, MFCD03452786, 4-Fluoropiperidinehydrochloride, Piperidine, 4-fluoro-, hydrochloride, SCHEMBL63302, 4-fluoro-piperidine hydrochloride, IXENWFQXVCOHAZ-UHFFFAOYSA-N, BCP34607, SBB070685, AKOS005146259, 4-Fluoropiperidine hydrochloride, 97%, PB24811, PS-9061, SY010389, DB-000230, CS-0040905, EN300-398588, Z1741960061

Application

4-Fluoropiperidine hydrochloride serves as a key intermediate in the synthesis of bioactive molecules, particularly in CNS-targeting pharmaceuticals where fluorinated piperidines enhance blood-brain barrier penetration. The compound is employed in structure-activity relationship (SAR) studies to investigate fluorine’s impact on potency and metabolic stability. Its applications extend to the development of radiopharmaceuticals and PET tracer molecules due to the favorable nuclear properties of fluorine-18. The hydrochloride salt form improves solubility in polar solvents for convenient handling in aqueous reaction conditions.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (84.8%)
• Skin Irrit. 2 (10.9%)
• Eye Irrit. 2 (95.7%)
• STOT SE 3 (10.9%)

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