Basic information
- CAS
4415-52-5- Standard SMILES
O=C(/C=C/c1ccccn1)OCCN1CCN(c2ccc(F)cc2)CC1- InChIKey
SBKVJZBXCGHKNJ-RMKNXTFCSA-N- Molecular formula
- C20H22FN3O2
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.16960512
Names & identifiers
- Preferred name
- 2-Pyridineacrylic acid, 2-(4-(p-fluorophenyl)-1-piperazinyl)ethyl ester
- IUPAC
- 2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl (E)-3-pyridin-2-ylprop-2-enoate
Names & synonyms
2-Pyridineacrylic acid, 2-(4-(p-fluorophenyl)-1-piperazinyl)ethyl ester4415-52-5RefChem:1064649BRN 05729161-Piperazineethanol, 4-(p-fluorophenyl)-, 2-pyridineacrylate2-Propenoic acid, 3-(2-pyridinyl)-, 2-(4-(4-fluorophenyl)-1-piperazinyl)ethyl ester
Database identifiers
- CAS
4415-52-5- PubChem CID
- 6444444
- Nikkaji
- J66.548G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- 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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