1-Piperazineacetic acid, 4-(2,4-dichlorocinnamoyl)-, ethyl ester, hydrochloride
Basic information
- CAS
27897-25-2- Standard SMILES
CCOC(=O)CN1CCN(C(=O)/C=C/c2ccc(Cl)cc2Cl)CC1.Cl- InChIKey
UPNHPZUQPAGZJM-CVDVRWGVSA-N- Molecular formula
- C17H21Cl3N2O3
- Average molar mass
- 407.7 g/mol
- Monoisotopic mass
- 406.061776
Names & identifiers
- Preferred name
- 1-Piperazineacetic acid, 4-(2,4-dichlorocinnamoyl)-, ethyl ester, hydrochloride
- IUPAC
- ethyl 2-[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]piperazin-1-yl]acetate;hydrochloride
Names & synonyms
1-Piperazineacetic acid, 4-(2,4-dichlorocinnamoyl)-, ethyl ester, hydrochloride27897-25-2RefChem:10564154-(2,4-Dichlorocinnamoyl)-1-piperazineacetic acid ethyl ester hydrochloride4-(2',4'-Dichlorocinnamoyl)-1-(ethoxycarbonylmethyl)piperazine hydrochloride
Database identifiers
- CAS
27897-25-2- PubChem CID
- 6445341
Properties
Computed structural properties
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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