Basic information
- CAS
4415-56-9- Standard SMILES
O=C(/C=C/c1cccnc1)OCCN1CCN(c2ccc(Cl)cc2)CC1- InChIKey
JZVACUYKVZUWHJ-FPYGCLRLSA-N- Molecular formula
- C20H22ClN3O2
- Average molar mass
- 371.9 g/mol
- Monoisotopic mass
- 371.1400546
Names & identifiers
- Preferred name
- 3-Pyridineacrylic acid, 2-(4-(p-chlorophenyl)-1-piperazinyl)ethyl ester
- IUPAC
- 2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl (E)-3-pyridin-3-ylprop-2-enoate
Names & synonyms
3-Pyridineacrylic acid, 2-(4-(p-chlorophenyl)-1-piperazinyl)ethyl ester4415-56-9RefChem:1068588BRN 08437371-Piperazineethanol, 4-(p-chlorophenyl)-, 3-pyridineacrylate2-Propenoic acid, 3-(3-pyridinyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester
Database identifiers
- CAS
4415-56-9- PubChem CID
- 6444449
- Nikkaji
- J66.546K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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