Basic information
- Standard SMILES
Cc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-]- InChIKey
BBMKAIOZWJLPPF-UHFFFAOYSA-N- Molecular formula
- C17H25N3O4
- Average molar mass
- 335.4 g/mol
Names & identifiers
- Preferred name
- 4-(4-Methyl-3-nitro-benzyl)-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[(4-methyl-3-nitrophenyl)methyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL7235143BBMKAIOZWJLPPF-UHFFFAOYSA-Ntert-butyl 4-(4-methyl-3-nitrobenzyl)piperazine-1-carboxylate4-(4-Methyl-3-nitro-benzyl)-piperazine-1-carboxylic acid tert-butyl ester309712-82-1
Database identifiers
- PubChem CID
- 53673436
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 450
Related reactions
4 records
Compound notes
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