Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(COc2cc(Br)cnc2N)CC1- InChIKey
RZXOHJJFYTXAIG-UHFFFAOYSA-N- Molecular formula
- C16H24BrN3O3
- Average molar mass
- 386.28 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-{[(2-amino-5-bromopyridin-3-yl)oxy]methyl}piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[(2-amino-5-bromo-3-pyridinyl)oxymethyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL17837669RZXOHJJFYTXAIG-UHFFFAOYSA-Ntert-butyl 4-{[(2-amino-5-bromopyridin-3-yl)oxy]methyl}piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 121409255
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 395
Related reactions
280 records
Compound notes
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