Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(Nc2cccc3cncc(Br)c23)CC1- InChIKey
OWVPBRDAUTUISH-UHFFFAOYSA-N- Molecular formula
- C19H24BrN3O2
- Average molar mass
- 406.3 g/mol
Names & identifiers
- Preferred name
- 4-(4-Bromo-5-isoquinolyl)amino-1-(tert-butoxycarbonyl)piperidine
- IUPAC
- tert-butyl 4-[(4-bromoisoquinolin-5-yl)amino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL5419924OWVPBRDAUTUISH-UHFFFAOYSA-N4-(4-Bromo-5-isoquinolyl)amino-1-(tert-butoxycarbonyl)piperidine
Database identifiers
- PubChem CID
- 21979972
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 460
Related reactions
10 records
Compound notes
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