Basic information
- Standard SMILES
CC(C)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1- InChIKey
VSOOZMNDBLURAO-UHFFFAOYSA-N- Molecular formula
- C14H21N3O2
- Average molar mass
- 263.34 g/mol
Names & identifiers
- Preferred name
- 1-(Isobutyl)-4-(4-nitrophenyl)piperazine
- IUPAC
- 1-(2-methylpropyl)-4-(4-nitrophenyl)piperazine
Names & synonyms
SCHEMBL5741339VSOOZMNDBLURAO-UHFFFAOYSA-NAKOS0341508761-(isobutyl)-4-(4-nitrophenyl)piperazineZ31057717
Database identifiers
- PubChem CID
- 21958910
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 288
Related reactions
3 records
Compound notes
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