Basic information
- CAS
90619-37-7- Standard SMILES
Cc1ccc(N2CCN(CCCN3C(=O)C4CC=CCC4C3=O)CC2)cc1.Cl.Cl- InChIKey
XFSMJZZVRCPBFB-UHFFFAOYSA-N- Molecular formula
- C22H31Cl2N3O2
- Average molar mass
- 440.4 g/mol
- Monoisotopic mass
- 439.1793326
Names & identifiers
- Preferred name
- 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(4-(4-methylphenyl)-1-piperazinyl)propyl)-, dihydrochloride
- IUPAC
- 2-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione;dihydrochloride
Names & synonyms
90619-37-71H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(4-(4-methylphenyl)-1-piperazinyl)propyl)-, dihydrochlorideRefChem:239339DTXSID809202722-{3-[4-(4-Methylphenyl)piperazin-1-yl]propyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione--hydrogen chloride (1/2)
Database identifiers
- CAS
90619-37-7- PubChem CID
- 56087
- DTXSID
DTXSID80920272
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
- 548
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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