Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(CCc2cccc([N+](=O)[O-])c2)CC1- InChIKey
BAKIFFUXJDOXSS-UHFFFAOYSA-N- Molecular formula
- C17H25N3O4
- Average molar mass
- 335.4 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(3-nitrophenethyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[2-(3-nitrophenyl)ethyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL402901BAKIFFUXJDOXSS-UHFFFAOYSA-NDB-106447tert-butyl 4-(3-nitrophenethyl)piperazine-1-carboxylate943720-98-7
Database identifiers
- PubChem CID
- 57597097
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 436
Related reactions
10 records
Compound notes
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