The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
3-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole , CAS No.17403-05-3
Basic Description
Synonyms
3-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | 17403-05-3 | 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole | TCMDC-123457 | 3-(1-Benzyl-1,2,3,6-tetrahydro-4-pyridyl)indole | CHEMBL285157 | ChemDiv2_002887 | MLS000660488 | SCHEMBL7543848 | DTXSID80425070 | HMS137
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
Not available
Direct Parent
Indoles
Alternative Parents
Phenylmethylamines Benzylamines Aralkylamines Substituted pyrroles Hydropyridines Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Hydropyridine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
INCHI
InChI=1S/C20H20N2/c1-2-6-16(7-3-1)15-22-12-10-17(11-13-22)19-14-21-20-9-5-4-8-18(19)20/h1-10,14,21H,11-13,15H2
InChIKey
TYKXLUMYKFFSJE-UHFFFAOYSA-N
Smiles
C1CN(CC=C1C2=CNC3=CC=CC=C32)CC4=CC=CC=C4
Isomeric SMILES
C1CN(CC=C1C2=CNC3=CC=CC=C32)CC4=CC=CC=C4
Molecular Weight
288.39
Reaxy-Rn
1585234
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1585234&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
288.400 g/mol
XLogP3
3.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
3
Exact Mass
288.163 Da
Monoisotopic Mass
288.163 Da
Topological Polar Surface Area
19.000 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
397.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
