1,4-Bis((o-chlorophenoxy)acetyl)piperazine
Basic information
- CAS
1784-11-8- Standard SMILES
O=C(COc1ccccc1Cl)N1CCN(C(=O)COc2ccccc2Cl)CC1- InChIKey
FFEGMENDRDQXAA-UHFFFAOYSA-N- Molecular formula
- C20H20Cl2N2O4
- Average molar mass
- 423.3 g/mol
- Monoisotopic mass
- 422.0800125
Names & identifiers
- Preferred name
- 1,4-Bis((o-chlorophenoxy)acetyl)piperazine
- IUPAC
- 2-(2-chlorophenoxy)-1-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]ethanone
Names & synonyms
AP 381,4-Bis((o-chlorophenoxy)acetyl)piperazineNIOSH/TK8926500DTXSID201196909AKOS0013002971784-11-8TK89265000Piperazine, 1,4-bis((o-chlorophenoxy)acetyl)-1,1'-(Piperazine-1,4-diyl)bis[2-(2-chlorophenoxy)ethan-1-one]1,1a(2)-(1,4-Piperazinediyl)bis[2-(2-chlorophenoxy)ethanone]
Database identifiers
- CAS
1784-11-8- PubChem CID
- 2631936
- DTXSID
DTXSID201196909
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 482
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Compound notes
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