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Product Code B2571-1g
Price £60 ex. VAT

A gem-fluorinated piperidine building block

For improving inhibitory performance of APIs

Specifications | MSDS | Literature and Reviews

3,3-Difluoropiperidine hydrochloride (CAS number 496807-97-7) is a hydrochloride salt of piperidine with two fluoride substituents at 3-position. As a piperidine derivative, 3,3-difluoropiperidine hydrochloride is a ubiquitous building block in pharmaceutical active ingredients (APIs). 3,3-Difluoropiperidine hydrochloride can attach to molecular scaffolds effortlessly through amination. This fluorinated piperidine building block improves the potency of an agonist of apelin receptor with effective concentration EC50 from 162 nM to 6.5 nM. The presence of 3,3-difluoropiperidine has an enhanced selectivity of estrogen positive breast cancer (1600 folds selectivity).

Molecular functionalisation with 3,3-difluoropiperidine hydrochloride is also used as a 19F NMR probe without requiring deuterated solvents or internal standards.

Multiple functional groups

Multiple functional groups

For facile synthesis

Fluorinated building block

Fluorinated piperidine building block

For NMR probe, medicinal chemistry and biochemistry research

Worldwide shipping for 496807-97-7

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High purity 496807-97-7

High purity

>98% High purity

General Information

CAS Number 496807-97-7
Chemical Formula C5H10ClF2N
Full Name 3,3-Difluoropiperidine hydrochloride
Molecular Weight 157.59 g/mol
Synonyms 3 3-Difluoropiperidine HCl, 3,3-Difluoropiperidinium chloride
Classification / Family Fluorinated building block, Heterocyclic building blocks, Piperidine derivatives, APIs

Chemical Structure

3,3-Difluoropiperidine hydrochloride chemical structure, CAS 496807-97-7.
3,3-Difluoropiperidine hydrochloride chemical structure, CAS 496807-97-7

Product Details

Purity 98%
Melting Point Tm = 243 °C – 247 °C
Appearance Cream/beige powder

MSDS Documentation

3,3-Difluoropiperidine hydrochloride3,3-Difluoropiperidine hydrochloride MSDS Sheet

Literature and Reviews

  1. Synthesis and characterization of an orally bioavailable small molecule agonist of the apelin receptor, S. Narayanan et al., Bioorg. Med. Chem., 66, 116789(2022); DOI: 10.1016/j.bmc.2022.116789.
  2. Discovery of N-{N-[(3-cyanobenzene) sulfonyl]-4(R)-(3,3-difluoropiperidin-1-yl)-(L)-prolyl}-4-[(30,50-dichloro-isonicotinoyl) amino]-(L)-phenylalanine (MK-0617), a highly potent and orally active VLA-4 antagonist, S. Venkatraman et al., Bioorganic Med. Chem. Lett., 19, 5803–5806(2009); DOI: 10.1016/j.bmcl.2009.07.111.
  3. Fluorinated amino-derivatives of the sesquiterpene lactone, parthenolide, as 19F NMR probes in deuterium-free environments, J. Woods et al., J. Med. Chem.,54(22), 7934–7941(2011); DOI: 10.1021/jm201114t.
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