3-(piperidin-4-ylmethyl)-1H-indole

Base Information

• Chemical Name: 3-(piperidin-4-ylmethyl)-1H-indole
• CAS No.: 3515-49-9
• Molecular Formula: C14H18N2
• Molecular Weight: 214.3061
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50188645
• Nikkaji Number: J64.758F
• Wikidata: Q83060460
• Pharos Ligand ID: 2LSUAF5UR2T8
• ChEMBL ID: CHEMBL429771
• Mol file: 3515-49-9.mol

Synonyms:3-(piperidin-4-ylmethyl)-1H-indole;3515-49-9;4-(3-Indolylmethyl)piperidine;1H-Indole, 3-(4-piperidinylmethyl)-;LM 5015;3-(4-Piperidinomethyl) indole;3-(4-Piperidinylmethyl)-1H-indole;BRN 0176648;3-[(piperidin-4-yl)methyl]-1H-indole;4-(3-Indolyl-methyl)-piperidin [German];CHEMBL429771;4-(3-Indolyl-methyl)-piperidin;MFCD01718591;INDOLE, 3-(4-PIPERIDYLMETHYL)-;1H-Indole, 3-(4-piperidinylmethyl)- (9CI);3-(4-Piperidylmethyl)-1H-indole;SCHEMBL1998835;4-(3-indolyl-methyl)-piperidine;DTXSID50188645;HKYWCJOLDLYIOL-UHFFFAOYSA-N;3-Piperidin-4-ylmethyl-1H-indole;BDBM50029157;AKOS022189214;LM-5015;AS-60509;LS-83356;CS-0186721;C74809;EN300-1838347

Chemical Property of 3-(piperidin-4-ylmethyl)-1H-indole

Chemical Property:

• Vapor Pressure: 1.16E-06mmHg at 25°C
• Boiling Point: 401.7°Cat760mmHg
• Flash Point: 196.7°C
• PSA: 27.82000
• Density: 1.109g/cm³
• LogP: 3.03880
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 214.146998583
• Heavy Atom Count: 16
• Complexity: 223

Purity/Quality:

97% ^*data from raw suppliers

3-(piperidin-4-ylmethyl)-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1CC2=CNC3=CC=CC=C32

Technology Process of 3-(piperidin-4-ylmethyl)-1H-indole

There total 9 articles about 3-(piperidin-4-ylmethyl)-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: 73.0%

3-<(4-pyridyl)methyl>-1H-indole (5275-07-0) → 3-<4>Piperidylmethyl-indol (3515-49-9)

Guidance literature:

3-<(4-pyridyl)methyl>-1H-indole; With hydrogen; acetic acid; platinum(IV) oxide; at 20 ℃; for 2h; under 1551.49 Torr;

With sodium carbonate; In water; ethyl acetate;

Reference yield: 52.0%

(1H-Indol-3-yl)-piperidin-4-yl-methanone; hydrochloride (63845-36-3) → 3-<4>Piperidylmethyl-indol (3515-49-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; 1.) 20 deg C, 3 h, 2.) reflux, 15 min;

DOI:10.1021/jm00186a005

Reference yield:

3-indolyl 4-pyridyl methanol (51626-60-9) → 3-<4>Piperidylmethyl-indol (3515-49-9)

Guidance literature:

With ethanol; acetic acid; Hydrogenation;

DOI:10.1021/ja01510a038

upstream raw materials:

pyridine-4-carbaldehyde

indole

3-indolyl 4-pyridyl methanol

(1H-Indol-3-yl)-piperidin-4-yl-methanone; hydrochloride

Refernces

• 1、 -. "NOVEL THIENOPYRROLE COMPOUNDS". . . Retrieved 2011/07/06.