4-Phenyl-4-piperidinecarbonitrile

Basic Information

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CAS Number

40481-13-8

Molecular Formula

C12H14N2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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C1CNCCC1(C#N)C2=CC=CC=C2

InChI

InChI=1S/C12H14N2/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h1-5,14H,6-9H2

InChIKey

DMCVVFIWYIKAEJ-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

226

Synonyms & References

English

SB37068
DMCVVFIWYIKAEJ-UHFFFAOYSA-
SY031562
4-Phenyl-4-piperidinecarbonitrile
MFCD00044491
4-phenylisonipecotonitrile
AS-39415
NSC63943
SCHEMBL187469
InChI=1/C12H14N2/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h1-5,14H,6-9H2
A854141
4-phenylpiperidine-4-carbonitrile
4-Piperidinecarbonitrile, 4-phenyl-
A1-23543
CS-0341825
4-Phenylpiperidine-4-carbonitrile;4-Cyano-4-phenylpiperidine
4-phenyl-piperidin-4-carbonitrile
4-Piperidinecarbonitrile, 4-phenyl-, monohydrochloride
4-phenylpiperidine-4-carbonitrile, AldrichCPR
4-phenyl-4-cyanopiperidine
4-PHENYL-PIPERIDINE-4-CARBONITRILE
AKOS006228294
DTXSID10193497
EN300-2664387
4-cyano-4-phenylpiperidine
40481-13-8
4-Phenylpiperidine-4-carbonitrile
4-phenyl-piperidine-4-carbonitrile
4-Piperidinecarbonitrile,4-phenyl-
4-cyan0-4-phenylpiperidine
4-cyano-4-phenyl-piperidine

MDL Number

MFCD00044491

Customs Code

2933399090

FAQ

What regulatory guidelines apply to 4-Phenyl-4-piperidinecarbonitrile (CAS: 40481-13-8)?

4-Phenyl-4-piperidinecarbonitrile (CAS: 40481-13-8) falls under the scope of various regulatory guidelines. In the context of GHS, it is classified as an irritant and requires appropriate labeling. For European Union (EU) manufacturers, processors, and importers, REACH regulations must be adhered to, including registration, evaluation, and authorization of substances. Additionally, the FDA and EPA have specific requirements for the handling, storage, and disposal of this compound, ensuring compliance with safety and environmental protection standards.

Are there alternatives to 4-Phenyl-4-piperidinecarbonitrile (CAS: 40481-13-8) in synthesis?

Several alternatives to 4-Phenyl-4-piperidinecarbonitrile can be considered in synthetic pathways, including 4-(1,1-dimethylpropyl)-1H-pyrazol-1-amine and 1-phenylpiperazine. These compounds offer similar functional groups and can serve as viable substitutes depending on the specific requirements of the reaction. Isomers and analogs such as 4-(1,1-dimethylpropyl)-3H-pyrrolo[3,2-c]pyridine-3-amine can also be explored for their unique properties and potential in alternative syntheses.

What is the market or research trend for 4-Phenyl-4-piperidinecarbonitrile (CAS: 40481-13-8)?

The market for 4-Phenyl-4-piperidinecarbonitrile (CAS: 40481-13-8) is currently stable, with growing interest in its applications in pharmaceuticals and materials science. Recent research trends focus on its potential as a precursor in drug synthesis and as a building block in the development of new polymers. The compound is also being explored for its optical and electronic properties. Market trends suggest increasing demand in the pharmaceutical industry, driven by its role in the synthesis of various compounds with therapeutic potential.

How should waste containing 4-Phenyl-4-piperidinecarbonitrile (CAS: 40481-13-8) be handled?

Waste containing 4-Phenyl-4-piperidinecarbonitrile (CAS: 40481-13-8) should be managed with caution to prevent environmental contamination and ensure safety. Collection should be done in appropriate containers, labeled with the chemical name and CAS number. For disposal, professional waste incineration services are recommended, as it is a hazardous waste under GHS classification. Environmental protection measures include proper ventilation, personal protective equipment, and adherence to local regulations. Safe disposal methods should be planned and executed by trained personnel to minimize the risk of exposure and environmental harm.