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4-Anilino-1-Benzyl-4-Cyanopiperidine - ≥98%, high purity , CAS No.968-86-5

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4-Anilino-1-Benzyl-4-Cyanopiperidine - ≥98%, high purity , CAS No.968-86-5

COA

Grade & Purity:

≥98%

Cas Number: 968-86-5
Molecular Weight: 291.399
MDL number: MFCD00086217
PubChem CID: 70412

In stock

Item Number

A140212

Grouped product items
SKU	Size	Availability	Price	Qty
A140212-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,374.90
A140212-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$5,562.90

Basic Description

Synonyms	968-86-5 \| 1-benzyl-4-(phenylamino)piperidine-4-carbonitrile \| 4-Anilino-1-benzylpiperidine-4-carbonitrile \| 1-BENZYL-4-CYANO-4-(PHENYLAMINO)PIPERIDINE \| 1-Benzyl-4-phenylamino-4-cyano-piperidine \| 4-Piperidinecarbonitrile, 4-(phenylamino)-1-(phenylmethyl)- \| 1-Benzy
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Benzylpiperidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Benzylpiperidines
Intermediate Tree Nodes	Not available
Direct Parent	N-benzylpiperidines
Alternative Parents	Phenylmethylamines Phenylalkylamines Benzylamines Aniline and substituted anilines Secondary alkylarylamines Aminopiperidines Trialkylamines Alpha-aminonitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-benzylpiperidine - Benzylamine - Phenylmethylamine - Aniline or substituted anilines - Phenylalkylamine - 4-aminopiperidine - Aralkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Alpha-aminonitrile - Tertiary aliphatic amine - Tertiary amine - Nitrile - Carbonitrile - Azacycle - Secondary amine - Organonitrogen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	4-anilino-1-benzylpiperidine-4-carbonitrile
INCHI	InChI=1S/C19H21N3/c20-16-19(21-18-9-5-2-6-10-18)11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1-10,21H,11-15H2
InChIKey	AYYPQRMTCMCFSL-UHFFFAOYSA-N
Smiles	C1CN(CCC1(C#N)NC2=CC=CC=C2)CC3=CC=CC=C3
Isomeric SMILES	C1CN(CCC1(C#N)NC2=CC=CC=C2)CC3=CC=CC=C3
Molecular Weight	291.399
Reaxy-Rn	488859
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=488859&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	291.400 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	291.174 Da
Monoisotopic Mass	291.174 Da
Topological Polar Surface Area	39.100 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	377.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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