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5-Chloro-1-[1-[2-(indan-2-yl)ethyl]-1,2,3,6-tetrahydropyridin-4-yl]-1H-indole

HCID 18545836
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Clc1ccc2c(ccn2C2=CCN(CCC3Cc4ccccc4C3)CC2)c1
InChIKey
DQDBLUCHRLISRH-UHFFFAOYSA-N
Molecular formula
C24H25ClN2
Average molar mass
376.9 g/mol
Monoisotopic mass
376.1706265

Names & identifiers

Preferred name
5-Chloro-1-[1-[2-(indan-2-yl)ethyl]-1,2,3,6-tetrahydropyridin-4-yl]-1H-indole
IUPAC
5-chloro-1-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]indole

Names & synonyms

SCHEMBL7214489DQDBLUCHRLISRH-UHFFFAOYSA-N5-Chloro-1-[1-[2-(indan-2-yl)ethyl]-1,2,3,6-tetrahydropyridin-4-yl]-1H-indole5-Chloro-1-[1-[2-(indan-2-yl)ethyl]-1,2,3,6-tetrahydropyridin-4yl]-1H-indol

Database identifiers

PubChem CID
18545836

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
8.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
27
Formal charge
0
Complexity
532

Related reactions

6 records
New reaction record
HRID 275719 reaction equation
HRID 275719As productuspto-grants-2002_03
HRID 275722 reaction equation
HRID 275722As reactantuspto-grants-2002_03
HRID 1267162 reaction equation
HRID 1267162As productuspto-grants-2003_04
HRID 1267163 reaction equation
HRID 1267163As reactantuspto-grants-2003_04
HRID 1385078 reaction equation
HRID 1385078As productuspto-grants-2001_07
HRID 2336725 reaction equation
HRID 2336725As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes