Tert-butyl 4-((2-bromo-5-nitropyridin-4-yloxy)methyl)piperidine-1-carboxylate
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(COc2cc(Br)ncc2[N+](=O)[O-])CC1- InChIKey
VXMQNHNWUQFPNM-UHFFFAOYSA-N- Molecular formula
- C16H22BrN3O5
- Average molar mass
- 416.27 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-((2-bromo-5-nitropyridin-4-yloxy)methyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[(2-bromo-5-nitro-4-pyridinyl)oxymethyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL620378VXMQNHNWUQFPNM-UHFFFAOYSA-Ntert-butyl 4-((2-bromo-5-nitropyridin-4-yloxy)methyl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 59613339
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 471
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Related reactions
6 records
Compound notes
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