Ethanone, 2-(4-methyl-1-piperazinyl)-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, hydrochloride, hydrate (2:4:1)
Basic information
- CAS
42882-42-8- Standard SMILES
CN1CCN(CC(=O)c2ccc3c(c2)CCCCC3)CC1.Cl.Cl- InChIKey
LXQQMMZNIBRFLW-UHFFFAOYSA-N- Molecular formula
- C18H28Cl2N2O
- Average molar mass
- 359.3 g/mol
- Monoisotopic mass
- 358.1578689
Names & identifiers
- Preferred name
- Ethanone, 2-(4-methyl-1-piperazinyl)-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, hydrochloride, hydrate (2:4:1)
- IUPAC
- 2-(4-methylpiperazin-1-yl)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethanone;dihydrochloride
Names & synonyms
42882-42-8Ethanone, 2-(4-methyl-1-piperazinyl)-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, hydrochloride, hydrate (2:4:1)DTXSID60195547RefChem:341386DTXCID001180382-(4-Methylpiperazin-1-yl)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)ethan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
42882-42-8- PubChem CID
- 39329
- DTXSID
DTXSID60195547
Properties
Computed structural properties
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 349
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Compound notes
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