Basic information
- Standard SMILES
Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)OC(C)(C)C)CC2)c1- InChIKey
OZVPLFDHUGVHQU-UHFFFAOYSA-N- Molecular formula
- C16H23N3O4
- Average molar mass
- 321.37 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(5-methyl-2-nitrophenyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-(5-methyl-2-nitrophenyl)piperazine-1-carboxylate
Names & synonyms
tert-butyl 4-(5-methyl-2-nitrophenyl)piperazine-1-carboxylateSCHEMBL4443971OZVPLFDHUGVHQU-UHFFFAOYSA-N1052705-42-6DB-344212
Database identifiers
- PubChem CID
- 69046965
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 436
Related reactions
1 records
Compound notes
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