Basic information
- CAS
6761-63-3- Standard SMILES
Cl.Cl.O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1- InChIKey
BISFWKGTCGWFED-UHFFFAOYSA-N- Molecular formula
- C20H24Cl2N2O3
- Average molar mass
- 411.3 g/mol
- Monoisotopic mass
- 410.116398
Names & identifiers
- Preferred name
- Acetophenone, 2-(4-piperonylpiperazin-1-yl)-, dihydrochloride
- IUPAC
- 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenylethanone;dihydrochloride
Names & synonyms
1-Benzoylmethyl-4-piperonylpiperazine dihydrochloride6761-63-3ACETOPHENONE, 2-(4-PIPERONYLPIPERAZIN-1-YL)-, DIHYDROCHLORIDE2-(4-Piperonyl-piperazin-1-yl)acetophenone dihydrochlorideDTXSID70217926RefChem:316909DTXCID201404172-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-1-phenylethan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
6761-63-3- PubChem CID
- 23213
- DTXSID
DTXSID70217926
Properties
Computed structural properties
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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