Basic information
- Standard SMILES
CC(C)Oc1ccc([N+](=O)[O-])c(NC2CCN(C(=O)OC(C)(C)C)CC2)c1- InChIKey
GLZFCLTVLSOKSM-UHFFFAOYSA-N- Molecular formula
- C19H29N3O5
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.21072103
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 4-({5-[(1-methylethyl)oxy]-2-nitrophenyl}amino)-1-piperidinecarboxylate
- IUPAC
- tert-butyl 4-(2-nitro-5-propan-2-yloxyanilino)piperidine-1-carboxylate
Names & synonyms
SCHEMBL4635686GLZFCLTVLSOKSM-UHFFFAOYSA-N1,1-Dimethylethyl 4-({5-[(1-methylethyl)oxy]-2-nitrophenyl}amino)-1-piperidinecarboxylate
Database identifiers
- PubChem CID
- 57423916
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 506
Related reactions
4 records
Compound notes
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