Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(NCCc2ncccc2[N+](=O)[O-])CC1- InChIKey
JTOYMRROBPBLNQ-UHFFFAOYSA-N- Molecular formula
- C17H26N4O4
- Average molar mass
- 350.4 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(2-(3-nitropyridin-2-yl)ethylamino)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[2-(3-nitro-2-pyridinyl)ethylamino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL4051782JTOYMRROBPBLNQ-UHFFFAOYSA-Ntert-butyl 4-(2-(3-nitropyridin-2-yl)ethylamino)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 59006366
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 453
Related reactions
4 records
Compound notes
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