Basic information
- CAS
52400-65-4- Standard SMILES
CN1CC[NH+](CCC2(C)Oc3ccccc3O2)CC1.[Cl-]- InChIKey
QZBLDHWXBDHFHG-UHFFFAOYSA-N- Molecular formula
- C15H23ClN2O2
- Average molar mass
- 298.81 g/mol
- Monoisotopic mass
- 298.1448057
Names & identifiers
- Preferred name
- 1,3-Benzodioxole, 2-methyl-2-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrochloride
- IUPAC
- 1-methyl-4-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]piperazin-4-ium chloride
Names & synonyms
4-Methyl-1-(2-(2-methyl-1,3-benzodioxol-2-yl)ethyl)piperazine hydrochloride52400-65-42-Methyl-2-(2-(4-methyl-1-piperazinyl)ethyl)-1,3-benzodioxole hydrochloride1,3-BENZODIOXOLE, 2-METHYL-2-(2-(4-METHYL-1-PIPERAZINYL)ETHYL)-, HYDROCHLORIDERefChem:217857
Database identifiers
- CAS
52400-65-4- PubChem CID
- 40357
Properties
Computed structural properties
- Topological polar surface area
- 26.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…