5-Fluoro-3-(piperidin-4-yl)-1H-indole

Base Information

• Chemical Name: 5-Fluoro-3-(piperidin-4-yl)-1H-indole
• CAS No.: 149669-43-2
• Molecular Formula: C13H15FN2
• Molecular Weight: 218.274
• European Community (EC) Number: 886-277-6
• ChEMBL ID: CHEMBL275814
• DSSTox Substance ID: DTXSID40472186
• Nikkaji Number: J1.292.210H
• Wikidata: Q82300984
• Mol file: 149669-43-2.mol

Synonyms:5-Fluoro-3-(piperidin-4-yl)-1H-indole;149669-43-2;5-Fluoro-3-piperidin-4-yl-1H-indole;5-Fluoro-3-(4-piperidinyl)-1H-indole;1H-Indole, 5-fluoro-3-(4-piperidinyl)-;CHEMBL275814;SCHEMBL2781509;DTXSID40472186;VQFAITGIMWXQQK-UHFFFAOYSA-N;4-(5-fluoroindol-3-yl)piperidine;MFCD08669442;AKOS013165294;CCG-358005;FD13067;5-fluoro-3-piperidine-4-yl-1H-indole;4-(5-fluoro-1H-indol-3-yl)piperidine;CS-0187143;EN300-213536;A884249;Z1160903096

Chemical Property of 5-Fluoro-3-(piperidin-4-yl)-1H-indole

Chemical Property:

• Boiling Point: 391.8±42.0 °C(Predicted)
• PKA: 16.23±0.30(Predicted)
• PSA: 27.82000
• Density: 1.190±0.06 g/cm3(Predicted)
• LogP: 3.10280
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 218.12192665
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

97% ^*data from raw suppliers

5-Fluoro-3-(piperidin-4-yl)-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1C2=CNC3=C2C=C(C=C3)F

Technology Process of 5-Fluoro-3-(piperidin-4-yl)-1H-indole

There total 10 articles about 5-Fluoro-3-(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: 95.0%

→ 5-fluoro-3-(piperidin-4-yl)-1H-indole (149669-43-2)

Guidance literature:

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

Reference yield: 67.0%

5-fluoro-1H-indole (399-52-0) + 4-piperidone monohydrochloride monohydrate (40064-34-4,320589-77-3) → 5-fluoro-3-(piperidin-4-yl)-1H-indole (149669-43-2)

Guidance literature:

Reference yield: 66.1%

N-benzyl-5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole → 5-fluoro-3-(piperidin-4-yl)-1H-indole (149669-43-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 40 ℃; for 8h; under 760.051 Torr;

DOI:10.1016/j.ejmech.2014.10.069

upstream raw materials:

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

5-fluoro-1H-indole

4-piperidone hydrochloride

4-piperidone monohydrochloride monohydrate