Basic information
- Standard SMILES
CN1CCN(C(=O)c2cc(N)cc3c2OCCO3)CC1- InChIKey
NVAQDYFOTVEVRG-UHFFFAOYSA-N- Molecular formula
- C14H19N3O3
- Average molar mass
- 277.32 g/mol
Names & identifiers
- Preferred name
- 5[(4-Methyl-1-piperazinyl)-carbonyl]-7-amino-1,4-benzodioxane
- IUPAC
- (7-amino-2,3-dihydro-1,4-benzodioxin-5-yl)-(4-methylpiperazin-1-yl)methanone
Names & synonyms
SCHEMBL11269666NVAQDYFOTVEVRG-UHFFFAOYSA-N5[(4-methyl-1-piperazinyl)-carbonyl]-7-amino-1,4-benzodioxane
Database identifiers
- PubChem CID
- 20544730
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Related reactions
7 records
Compound notes
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