structure of 1-(4-Cyano-2-fluorophenyl)piperidine-3-carboxylic acid

1-(4-Cyano-2-fluorophenyl)piperidine-3-carboxylic acid

CAS No.: 1000339-81-0
M. Wt: 248.253
M. Fa: C13H13FN2O2
InChI Key: LWDBBCSJQOJONX-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 1000339-81-0

CAS Number

1000339-81-0

MDL Number

MFCD09750918

IUPAC Name

1-(4-cyano-2-fluorophenyl)piperidine-3-carboxylic acid

InChI

InChI=1S/C13H13FN2O2/c14-11-6-9(7-15)3-4-12(11)16-5-1-2-10(8-16)13(17)18/h3-4,6,10H,1-2,5,8H2,(H,17,18)

InChIKey

LWDBBCSJQOJONX-UHFFFAOYSA-N

Canonical SMILES

C1CC(CN(C1)C2=C(C=C(C=C2)C#N)F)C(=O)O

UNSPSC Code

12352100

Physical and chemical properties of 1000339-81-0

Acidity coefficient

4.40±0.20(Predicted)

Boiling Point

459.1±45.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

248.096100

Flash Point

231.4±28.7 °C

Index of Refraction

1.589

LogP

1.78

Molecular Formula

C13H13FN2O2

Molecular Weight

248.253

Vapour Pressure

0.0±1.2 mmHg at 25°C

Safety Information of 1000339-81-0

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Interaction Studies of 1000339-81-0

While specific interaction studies on 1-(4-Cyano-2-fluorophenyl)piperidine-3-carboxylic acid are scarce, compounds with similar structures often undergo:

  • Protein binding assays: To determine affinity for various receptors.
  • In vitro studies: Assessing effects on cell lines relevant to neurological functions.