2,3-Piperazinedione, 1-(2-chloro-4-(diethylamino)benzyl)-4-hexyl-
Basic information
- CAS
77918-00-4- Standard SMILES
CCCCCCN1CCN(Cc2ccc(N(CC)CC)cc2Cl)C(=O)C1=O- InChIKey
AOWYAKVJYRZWKE-UHFFFAOYSA-N- Molecular formula
- C21H32ClN3O2
- Average molar mass
- 393.9 g/mol
- Monoisotopic mass
- 393.218305
Names & identifiers
- Preferred name
- 2,3-Piperazinedione, 1-(2-chloro-4-(diethylamino)benzyl)-4-hexyl-
- IUPAC
- 1-[[2-chloro-4-(diethylamino)phenyl]methyl]-4-hexylpiperazine-2,3-dione
- English name
- 1-(2-Chloro-4-(diethylamino)benzyl)-4-hexyl-2,3-piperazinedione
- Molecular weight
- 0
Names & synonyms
BRN 563059777918-00-42,3-Piperazinedione, 1-(2-chloro-4-(diethylamino)benzyl)-4-hexyl-1-(2-Chloro-4-(diethylamino)benzyl)-4-hexyl-2,3-piperazinedioneDTXSID10228576RefChem:245195DTXCID601510671-{[2-CHLORO-4-(DIETHYLAMINO)PHENYL]METHYL}-4-HEXYLPIPERAZINE-2,3-DIONE
Database identifiers
- CAS
77918-00-4- PubChem CID
- 3060281
- DTXSID
DTXSID10228576- Nikkaji
- J117.821K
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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