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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

1-(4-ethynylphenyl)piperidine

C#Cc1ccc(cc1)N1CCCCC1 Request for Quotation
Chemical Name: 1-(4-ethynylphenyl)piperidine
CAS Number: 41876-66-8
Product Number: AG00BY44(AGN-PC-0NI8CI)
Synonyms:
MDL No:
Molecular Formula: C13H15N
Molecular Weight: 185.2649

Identification/Properties

Computed Properties
Molecular Weight:
185.27g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
185.12g/mol
Monoisotopic Mass:
185.12g/mol
Topological Polar Surface Area:
3.2A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
211
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


1-(4-Ethynylphenyl)piperidine, also known as 4-ethynylphenylpiperidine or 4-EPP, is a versatile chemical compound widely used in chemical synthesis for various applications. In organic chemistry, this compound serves as a valuable building block for the synthesis of complex molecules due to its unique structural features.One of the primary applications of 1-(4-Ethynylphenyl)piperidine in chemical synthesis is its use as a key intermediate in the preparation of pharmaceutical compounds. Its alkyne group provides a convenient site for further functionalization, enabling the introduction of various functional groups to tailor the compound's properties for specific medicinal purposes. This compound's involvement in drug synthesis highlights its importance in the pharmaceutical industry.Additionally, 1-(4-Ethynylphenyl)piperidine can serve as a useful carbon-carbon triple bond (alkyne) component in organic reactions, such as Sonogashira cross-coupling reactions. These reactions enable the formation of new carbon-carbon bonds, allowing for the creation of complex molecular structures with precise control over the regioselectivity and stereochemistry.Furthermore, the presence of the piperidine ring in this compound offers additional synthetic opportunities, as piperidines are commonly found in biologically active molecules and complex natural products. The integration of the piperidine moiety in chemical synthesis can lead to the development of new therapeutic agents, agrochemicals, or materials with enhanced properties.Overall, 1-(4-Ethynylphenyl)piperidine plays a crucial role in the realm of chemical synthesis, offering diverse possibilities for the creation of novel compounds with varied applications in pharmaceuticals, materials science, and other fields requiring the synthesis of complex organic molecules.