Basic information
- Standard SMILES
CN1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1- InChIKey
ZMANHTSNZIEHET-UHFFFAOYSA-N- Molecular formula
- C14H17N3O5
- Average molar mass
- 307.3 g/mol
Names & identifiers
- Preferred name
- 5-[(4-Methyl-1-piperazinyl)-carbonyl]-7-nitro-1,4-benzodioxane
- IUPAC
- (4-methylpiperazin-1-yl)-(7-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)methanone
Names & synonyms
SCHEMBL11270948ZMANHTSNZIEHET-UHFFFAOYSA-N5-[(4-methyl-1-piperazinyl)-carbonyl]-7-nitro-1,4-benzodioxane
Database identifiers
- PubChem CID
- 20544709
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 433
Related reactions
7 records
Compound notes
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