1-(Piperidin-4-yl)-1H-indole

Base Information

• Chemical Name: 1-(Piperidin-4-yl)-1H-indole
• CAS No.: 118511-81-2
• Molecular Formula: C13H16 N2
• Molecular Weight: 200.27954
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40555741
• Nikkaji Number: J2.007.410H
• Wikidata: Q82437153
• Mol file: 118511-81-2.mol

Synonyms:1-(Piperidin-4-yl)-1H-indole;118511-81-2;1-piperidin-4-ylindole;1-piperidin-4-yl-1H-indole;1-(4-piperidinyl)-1H-indole;4(1-indolyl)-piperidine;4-(1-indolyl)-piperidine;1_4_piperidinyl_1H_indole;1-(piperidin-4-yl)-indole;1-N-(piperidin-4-yl)indole;1-N-(piperidin-4-yl)-indole;SCHEMBL1239171;DTXSID40555741;RQEDXUKWSYJDPG-UHFFFAOYSA-N;MFCD07364487;AKOS015840933;DS-4253;SB14988;1-(4-Piperidinyl)-1H-indole, AldrichCPR;CS-0155963;EN300-1699612;A893140

Chemical Property of 1-(Piperidin-4-yl)-1H-indole

Chemical Property:

• Boiling Point: 362.9±35.0 °C(Predicted)
• PKA: 10.20±0.10(Predicted)
• PSA: 16.96000
• Density: 1.16±0.1 g/cm3(Predicted)
• LogP: 2.89460
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.7
• 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:

97% ^*data from raw suppliers

1-(Piperidin-4-yl)-1H-indole 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1N2C=CC3=CC=CC=C32

Technology Process of 1-(Piperidin-4-yl)-1H-indole

There total 15 articles about 1-(Piperidin-4-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: 98.0%

1-(1-Benzyl-piperidin-4-yl)-1H-indole (170365-11-4) → 1-(4-piperidinyl)-1H-indole (118511-81-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 20h; under 2585.74 Torr;

DOI:10.1016/S0040-4020(03)00973-6

Reference yield: 80.0%

→ 1-(4-piperidinyl)-1H-indole (118511-81-2)

Guidance literature:

Reference yield: 70.0%

4-(indol-1-yl)piperidine-1-carboxylic acid tert-butyl ester (170364-89-3) → 1-(4-piperidinyl)-1H-indole (118511-81-2)

Guidance literature:

With trifluoroacetic acid; In ethyl acetate; at 60 ℃; for 12h;

DOI:10.1016/S0040-4020(03)00973-6

upstream raw materials:

4-indol-1-yl-piperidine-1-carboxylic acid ethyl ester

1-(1-Benzyl-piperidin-4-yl)-1H-indole

4-(indol-1-yl)piperidine-1-carboxylic acid tert-butyl ester

1-indoline

Downstream raw materials:

1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-indole

enzastaurin

oxo-[1-(1-pyridin-2-ylmethyl-piperidin-4-yl)-1H-indol-3-yl]-oxo-acetic acid methyl ester

4-(indol-1-yl)piperidine-1-carboxylic acid tert-butyl ester