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Ethyl 2-(7-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl)acetate

HCID 58137336
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Basic information

Standard SMILES
CCOC(=O)CC1CC2(CCNCC2)c2c(Br)cccc21
InChIKey
WGWRBGNAZGEAEX-UHFFFAOYSA-N
Molecular formula
C17H22BrNO2
Average molar mass
352.3 g/mol

Names & identifiers

Preferred name
Ethyl 2-(7-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl)acetate
IUPAC
ethyl 2-(4-bromospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetate

Names & synonyms

SCHEMBL1223602WGWRBGNAZGEAEX-UHFFFAOYSA-NEthyl 2-(7-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl)acetate(+/-)-ethyl 2-(7-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl)acetate

Database identifiers

PubChem CID
58137336

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Formal charge
0
Complexity
381

Related reactions

8 records
New reaction record
HRID 390182 reaction equation
HRID 390182As reactantuspto-grants-2013_02
HRID 390192 reaction equation
HRID 390192As reactantuspto-grants-2013_02
HRID 1232868 reaction equation
HRID 1232868As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1241054 reaction equation
HRID 1241054As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1424609 reaction equation
HRID 1424609As reactantuspto-grants-2015_01
HRID 1424610 reaction equation
HRID 1424610As productuspto-grants-2015_01
HRID 1424611 reaction equation
HRID 1424611As reactantuspto-grants-2015_01
HRID 1424622 reaction equation
HRID 1424622As reactantuspto-grants-2015_01

Compound notes

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