Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCC1CCCN(c2ccncc2[N+](=O)[O-])C1- InChIKey
APHHABPJKKKOCD-UHFFFAOYSA-N- Molecular formula
- C16H24N4O4
- Average molar mass
- 336.39 g/mol
Names & identifiers
- Preferred name
- Tert-butyl (1-(3-nitropyridin-4-yl)piperidin-3-yl)methylcarbamate
- IUPAC
- tert-butyl N-[[1-(3-nitro-4-pyridinyl)piperidin-3-yl]methyl]carbamate
Names & synonyms
SCHEMBL11977728APHHABPJKKKOCD-UHFFFAOYSA-NDB-199033tert-butyl (1-(3-nitropyridin-4-yl)piperidin-3-yl)methylcarbamateN-[[1-(3-nitro-4-pyridinyl)-3-piperidinyl]methyl]carbamic acid 1,1-dimethylethyl ester1052704-87-6
Database identifiers
- PubChem CID
- 68184584
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 446
Related reactions
1 records
Compound notes
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