4-(3-Fluorobenzyl)piperidine

Basic Information

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CAS Number

202126-85-0

Molecular Formula

C12H16FN

Molecular Weight

193.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

278.6±20.0 ºC (760 Torr),

Flash Point

122.3±21.8 ºC,

SMILES

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C1CNCCC1CC2=CC(=CC=C2)F

InChI

InChI=1S/C12H16FN/c13-12-3-1-2-11(9-12)8-10-4-6-14-7-5-10/h1-3,9-10,14H,4-8H2

InChIKey

ZXAPMANOWGBURM-UHFFFAOYSA-N

LogP

2.3678

Topological Polar Surface Area

12.03 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

166

Synonyms & References

English

AB22524
ZXAPMANOWGBURM-UHFFFAOYSA-N
4-(3-Fluoro-benzyl)-piperidine
EN300-43500
202126-85-0
AB00999436-01
4-(3-Fluorobenzyl)piperidine
AR-527/43467595
MFCD05863562
Piperidine,4-[(3-fluorophenyl)methyl]-
DTXSID10444057
AKOS009810130
CS-0216449
J-013126
4-[(3-fluorophenyl)methyl]piperidine
F8881-5399
Piperidine, 4-[(3-fluorophenyl)methyl]-
FT-0646995
SCHEMBL3966432
4-(3-FLUORO-BENZYL)-PIPERIDINE
AG-E-47983
CTK0J9606
SureCN3966432

MDL Number

MFCD05863562

FAQ

What are the physical and chemical properties of 4-(3-Fluorobenzyl)piperidine (CAS: 202126-85-0)?

4-(3-Fluorobenzyl)piperidine is a colorless to light yellow liquid at room temperature. It has a molecular weight of approximately 228.21 g/mol. The compound is slightly soluble in water but miscible with most organic solvents. It is moderately reactive, showing basic behavior due to the piperidine ring, and can undergo nucleophilic substitution reactions.

How is 4-(3-Fluorobenzyl)piperidine (CAS: 202126-85-0) typically synthesized?

4-(3-Fluorobenzyl)piperidine is typically synthesized by the reaction of 3-fluorobenzyl bromide with piperidine in the presence of a base such as potassium carbonate. The reaction is conducted in an aprotic solvent like dimethylformamide (DMF). The yield is usually around 75-85%, and the reaction is carried out at room temperature with high selectivity.

What industries use 4-(3-Fluorobenzyl)piperidine (CAS: 202126-85-0)?

4-(3-Fluorobenzyl)piperidine is used in the pharmaceutical industry for the synthesis of various drug candidates due to its structural similarity to other biologically active compounds. It is also used in the polymer industry for modifying the properties of polymers and in the sensor industry for developing gas sensors.

What precautions should be taken when handling 4-(3-Fluorobenzyl)piperidine (CAS: 202126-85-0)?

When handling 4-(3-Fluorobenzyl)piperidine, it is important to wear appropriate personal protective equipment (PPE), including gloves, lab coat, and safety goggles. The compound should be stored in a cool, dry place, away from heat and sources of ignition. In case of a spill, use appropriate spill cleanup materials and follow the safety data sheet (SDS) for further instructions.