Basic information
- CAS
90619-38-8- Standard SMILES
Cl.Cl.O=C1C2CC=CCC2C(=O)N1CCCN1CCN(c2ccccc2Cl)CC1- InChIKey
RODLNYLAAUDFGW-UHFFFAOYSA-N- Molecular formula
- C21H28Cl3N3O2
- Average molar mass
- 460.8 g/mol
- Monoisotopic mass
- 459.12471
Names & identifiers
- Preferred name
- 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(4-(2-chlorophenyl)-1-piperazinyl)propyl)-, dihydrochloride
- IUPAC
- 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione;dihydrochloride
Names & synonyms
90619-38-81H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(4-(2-chlorophenyl)-1-piperazinyl)propyl)-, dihydrochlorideRefChem:239337DTXSID209202712-{3-[4-(2-Chlorophenyl)piperazin-1-yl]propyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione--hydrogen chloride (1/2)
Database identifiers
- CAS
90619-38-8- PubChem CID
- 56089
- DTXSID
DTXSID20920271
Properties
Computed structural properties
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 562
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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