3-Bromomethyl-piperidine-1-carboxylic acid tert-butyl ester 7-Chloro-6-(piperidin-3-ylmethylsulfanyl)-isoquinoline

HCID 68592467
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCCC(CBr)C1.Clc1cc2cnccc2cc1SCC1CCCNC1
InChIKey
PFKBIFFGXDPKGK-UHFFFAOYSA-N
Molecular formula
C26H37BrClN3O2S
Average molar mass
571 g/mol

Names & identifiers

Preferred name
3-Bromomethyl-piperidine-1-carboxylic acid tert-butyl ester 7-Chloro-6-(piperidin-3-ylmethylsulfanyl)-isoquinoline
IUPAC
tert-butyl 3-(bromomethyl)piperidine-1-carboxylate;7-chloro-6-(piperidin-3-ylmethylsulfanyl)isoquinoline

Names & synonyms

SCHEMBL3313996PFKBIFFGXDPKGK-UHFFFAOYSA-N3-Bromomethyl-piperidine-1-carboxylic acid tert-butyl ester 7-Chloro-6-(piperidin-3-ylmethylsulfanyl)-isoquinoline

Database identifiers

PubChem CID
68592467

Properties

Computed structural properties

Topological polar surface area
79.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
34

Related reactions

1 records
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Compound notes

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