4-(Dichloroacetyl)-1-piperazinecarboxaldehyde
Basic information
- CAS
77368-16-2- Standard SMILES
O=CN1CCN(C(=O)C(Cl)Cl)CC1- InChIKey
RZVIXHNWFHNVDI-UHFFFAOYSA-N- Molecular formula
- C7H10Cl2N2O2
- Average molar mass
- 225.07 g/mol
- Monoisotopic mass
- 224.011933
Overview
4-(dichloroacetyl)piperazine-1-carbaldehyde is a member of the class of piperazines that is piperazine in which one of the nitrogens is substituted with a formyl group, while the other is substituted with a dichloroacetyl group. An antispermatogenic agent. It has a role as an antispermatogenic agent. It is a tertiary carboxamide, a member of formamides, a member of piperazines and an organochlorine compound.
Names & identifiers
- Preferred name
- 4-(Dichloroacetyl)-1-piperazinecarboxaldehyde
- IUPAC
- 4-(2,2-dichloroacetyl)piperazine-1-carbaldehyde
Names & synonyms
4-(Dichloroacetyl)-1-piperazinecarboxaldehyde77368-16-24-(2,2-dichloroacetyl)piperazine-1-carbaldehyde1-Piperazinecarboxaldehyde, 4-(dichloroacetyl)-4-(dichloroacetyl)piperazine-1-carbaldehydeCDRI-8435DTXSID60228086CHEBI:145049CDRI 84/35CDRI-84/35
Database identifiers
- CAS
77368-16-2- PubChem CID
- 154408
- DTXSID
DTXSID60228086- ChEBI
CHEBI:145049- Nikkaji
- J445.033G
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 203
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Compound notes
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