Indole, 3-(piperidinomethyl)-

Base Information

• Chemical Name: Indole, 3-(piperidinomethyl)-
• CAS No.: 5355-42-0
• Molecular Formula: C14H18N2
• Molecular Weight: 214.31
• Hs Code.: 2933990090
• NSC Number: 47186,24532
• UNII: 3ED9JU5XWE
• DSSTox Substance ID: DTXSID20201759
• Nikkaji Number: J745.557G
• Wikidata: Q83074978
• ChEMBL ID: CHEMBL57535
• Mol file: 5355-42-0.mol

Synonyms:5355-42-0;3-((PIPERIDIN-1-YL)METHYL)-1H-INDOLE;INDOLE, 3-(PIPERIDINOMETHYL)-;N-Skatylpiperidine;3-(piperidin-1-ylmethyl)-1H-indole;3-(Piperidinomethyl) indole;3-(1-Piperidinylmethyl)-1H-indole;NSC 24532;NSC 47186;3ED9JU5XWE;3-(Piperidinomethyl)indole;BRN 0176547;CHEMBL57535;3-(Piperidinomethyl)-1H-indole;3-Piperidin-1-ylmethyl-1H-indole;NSC-24532;NSC-47186;5-22-10-00029 (Beilstein Handbook Reference);3-[(piperidin-1-yl)methyl]-1H-indole;UNII-3ED9JU5XWE;3-N-Piperidinomethyl indole;TimTec1_004365;Oprea1_229223;Oprea1_800570;MLS000780429;N-(3-Indolylmethyl)-piperidin;SCHEMBL8789790;DTXSID20201759;HMS1546G09;HMS2788N12;NSC24532;NSC47186;BDBM50050466;MFCD00458412;STK001853;1H-Indole, 3-(1-piperidylmethyl)-;AKOS000291489;1H-Indole, 3-(1-piperidinylmethyl)-;3-(1-Piperidinylmethyl)-1H-indole #;3-(PIPERIDIN-1-YLMETHYL)INDOLE;NCGC00246449-01;LS-83347;SMR000424731;CS-0313178;FT-0687965;3-((Piperidin-1-yl)methyl)-1H-indole,98%;SR-01000391787;J-510387;SR-01000391787-1

Chemical Property of Indole, 3-(piperidinomethyl)-

Chemical Property:

• Vapor Pressure: 1.59E-05mmHg at 25°C
• Boiling Point: 365.2°Cat760mmHg
• Flash Point: 174.7°C
• PSA: 19.03000
• Density: 1.138g/cm³
• LogP: 3.09170
• Water Solubility.: Freely soluble in water.
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 214.146998583
• Heavy Atom Count: 16
• Complexity: 223

Purity/Quality:

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

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CC2=CNC3=CC=CC=C32
• Uses: 3-(1-Piperidinylmethyl)indole, is used as a pharmaceutical intermediate.

Technology Process of Indole, 3-(piperidinomethyl)-

There total 1 articles about Indole, 3-(piperidinomethyl)- 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:

indole (120-72-9) + tetrachloromethane (56-23-5) + N-piperidinomethyl-benzenesulfonamide (53497-62-4) → benzenesulfonamide (98-10-2) + 3-(piperidin-1-ylmethyl)-1H-indole (5355-42-0) + N-[(1H-indol-3-yl)methyl]benzenesulfonamide (100969-45-7)

Guidance literature:

Erhitzen;

Reference yield:

hydrogen cyanide (74-90-8) + 3-(piperidin-1-ylmethyl)-1H-indole (5355-42-0) → indole-3-acetonitrile (771-51-7)

Guidance literature:

With benzene; at 150 ℃;

Reference yield:

3-(piperidin-1-ylmethyl)-1H-indole (5355-42-0) + diethyl 2-formylaminomalonate (6326-44-9) → ethyl 2-formamido-3-(3-indolyl)-2-carbethoxypropionate (64258-95-3)

Guidance literature:

With xylene;

DOI:10.1021/ja01115a016

upstream raw materials:

indole

tetrachloromethane

N-piperidinomethyl-benzenesulfonamide

Downstream raw materials:

indole-3-acetonitrile

ethyl 2-formamido-3-(3-indolyl)-2-carbethoxypropionate

1-indol-3-ylmethyl-2-oxo-cyclohexanecarboxylic acid benzyl ester