1-(4-Fluorophenyl)-4-[3-(2-thienyl)acryloyl]piperazine
Basic information
- CAS
354546-68-2- Standard SMILES
O=C(/C=C/c1cccs1)N1CCN(c2ccc(F)cc2)CC1- InChIKey
BRKGWMDRRJXWFS-BQYQJAHWSA-N- Molecular formula
- C17H17FN2OS
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.10456251
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-4-[3-(2-thienyl)acryloyl]piperazine
- IUPAC
- (E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
- English name
- 1-(4-fluorophenyl)-4-[3-(2-thienyl)acryloyl]piperazine
- Molecular formula
- C17H17FN2OS
- Molecular weight
- 316.39
Names & synonyms
1-(4-fluorophenyl)-4-[3-(2-thienyl)acryloyl]piperazine354546-68-2(E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one(2E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(thiophen-2-yl)prop-2-en-1-oneMLS000767874CHEMBL1441789DTXSID001328300HMS2801P03STK444824AKOS000807234SMR000430203AK-968/37214065
Show more names
2-Propen-1-one, 1-[4-(4-fluorophenyl)-1-piperazinyl]-3-(2-thienyl)-
SR-01000251846SR-01000251846-1(E)-1-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-3-thiophen-2-yl-propenone(E)-1-(4-(4-fluorophenyl)piperazin-1-yl)-3-(thiophen-2-yl)prop-2-en-1-one
Database identifiers
- CAS
354546-68-2- PubChem CID
- 840243
- DTXSID
DTXSID001328300- ChEMBL
CHEMBL1441789
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Experimental & physicochemical properties
Solubility3.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 534.4 · 534.4±50.0 °C(Predicted)
- Density
- 1.283 · 1.283±0.06 g/cm3(Predicted)
- pka
- 2.88 · 2.88±0.10(Predicted)
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Compound notes
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