3-(Piperidin-1-yl)-1h-indole

Base Information

• Chemical Name: 3-(Piperidin-1-yl)-1h-indole
• CAS No.: 17403-09-7
• Molecular Formula: C13H16N2
• Molecular Weight: 200.283
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50938460
• Wikidata: Q72500709
• Mol file: 17403-09-7.mol

Synonyms:3-(piperidin-1-yl)-1h-indole;17768-71-7;3-piperidin-1-yl-1H-indole;indole-3-piperidine;SCHEMBL1413377;DTXSID50938460;DSKKWRMQFREVAD-UHFFFAOYSA-N

Chemical Property of 3-(Piperidin-1-yl)-1h-indole

Chemical Property:

• Vapor Pressure: 3.03E-06mmHg at 25°C
• Melting Point: 222-224 °C
• Boiling Point: 386.5 °C at 760 mmHg
• PKA: 17.06±0.30(Predicted)
• Flash Point: 187.5 °C
• PSA: 27.82000
• Density: 1.15 g/cm³
• LogP: 2.96370
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 200.131348519
• Heavy Atom Count: 15
• Complexity: 211

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(4-Piperidyl)indole >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, C
• Hazard Codes: Xi,C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C2=CNC3=CC=CC=C32

Technology Process of 3-(Piperidin-1-yl)-1h-indole

There total 14 articles about 3-(Piperidin-1-yl)-1h-indole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (65347-55-9) → 3-(4-piperidinyl)-1H-indole (17403-09-7)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In methanol; for 1h; under 2250.18 Torr;

DOI:10.1021/jm0498203

Reference yield: 96.0%

3-[1,2,3,6-tetrahydro-1-(phenylmethyl)-4-pyridinyl]-1H-indole (17403-05-3) → 3-(4-piperidinyl)-1H-indole (17403-09-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; acetic acid; In ethyl acetate; at 20 ℃; under 760.051 Torr;

DOI:10.1016/j.ejmech.2015.07.047

Reference yield: 91.0%

tert.butyl 4-(1H-indol-3-yl)-piperidine-1-carboxylate (155302-28-6) → 3-(4-piperidinyl)-1H-indole (17403-09-7)

Guidance literature:

With hydrogenchloride; In dichloromethane; ethyl acetate; for 3h;

upstream raw materials:

3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

indole

1-phenylmethyl-4-piperidone

4-piperidone hydrochloride

Downstream raw materials:

3-(piperidin-4-yl)indolin-2-one

2-{2-[4-(1H-indol-3-yl)-piperidin-1-yl]-ethoxy}-benzoic Acid Methyl Ester

N-(2-(4-(1H-indol-3-yl)piperidin-1-yl)ethyl)phthalimide

Refernces

• 1、 Wróbel, Martyna Z.,Chodkowski, Andrzej,Herold, Franciszek,Marciniak, Monika,Dawidowski, Maciej,Siwek, Agata,Starowicz, Gabriela,Stachowicz, Katarzyna,Szewczyk, Bernadeta,Nowak, Gabriel,Belka, Mariusz,B?czek, Tomasz,Sata?a, Grzegorz,Bojarski, Andrzej J.,Tur?o, Jadwiga. "Synthesis and biological evaluation of new multi-target 3-(1H-indol-3-yl)pyrrolidine-2,5-dione derivatives with potential antidepressant effect". . . Retrieved 2019/10/05.
• 2、 -. "Substituted heterocyclic compounds and its application on the medicament (by machine translation)". . . Retrieved 2017/06/02.