Basic information
- Standard SMILES
CCN1CCN(c2ccc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])c2)CC1- InChIKey
LPMMXQCTTYSOSV-UHFFFAOYSA-N- Molecular formula
- C17H26N4O4
- Average molar mass
- 350.4 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 4-(4-ethylpiperazin-1-yl)-2-nitrophenylcarbamate
- IUPAC
- tert-butyl N-[4-(4-ethylpiperazin-1-yl)-2-nitrophenyl]carbamate
Names & synonyms
SCHEMBL16653873LPMMXQCTTYSOSV-UHFFFAOYSA-Ntert-Butyl 4-(4-ethylpiperazin-1-yl)-2-nitrophenylcarbamate
Database identifiers
- PubChem CID
- 118024395
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 466
Related reactions
2 records
Compound notes
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