Ethanone, 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-methyl-1-piperazinyl)-, hydrochloride,hydrate (2:4:1)
Basic information
- CAS
67367-82-2- Standard SMILES
CN1CCN(CC(=O)c2c3c(cc4c2CCC4)CCC3)CC1.Cl.Cl- InChIKey
GPCSWNCXYZNRIA-UHFFFAOYSA-N- Molecular formula
- C19H28Cl2N2O
- Average molar mass
- 371.3 g/mol
- Monoisotopic mass
- 370.1578689
Names & identifiers
- Preferred name
- Ethanone, 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-methyl-1-piperazinyl)-, hydrochloride,hydrate (2:4:1)
- IUPAC
- 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-methylpiperazin-1-yl)ethanone;dihydrochloride
Names & synonyms
VUFB-1055667367-82-2Ethanone, 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-methyl-1-piperazinyl)-, hydrochloride,hydrate (2:4:1)DTXSID202177191-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(4-methyl-1-piperazinyl)ethanone 2HCl hemihydrateRefChem:340986DTXCID201402101-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(4-methylpiperazin-1-yl)ethan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
67367-82-2- PubChem CID
- 49826
- DTXSID
DTXSID20217719
Properties
Computed structural properties
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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