3-Buten-2-one, 4-phenyl-1-piperidino-4-(2-thienyl)-
Basic information
- CAS
1866-06-4- Standard SMILES
O=C(/C=C(\c1ccccc1)c1cccs1)CN1CCCCC1- InChIKey
KRVBOBXUNUQZLT-NBVRZTHBSA-N- Molecular formula
- C19H21NOS
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.13438547
Names & identifiers
- Preferred name
- 3-Buten-2-one, 4-phenyl-1-piperidino-4-(2-thienyl)-
- IUPAC
- (E)-4-phenyl-1-piperidin-1-yl-4-thiophen-2-ylbut-3-en-2-one
Names & synonyms
3-BUTEN-2-ONE, 4-PHENYL-1-PIPERIDINO-4-(2-THIENYL)-1866-06-4RefChem:1067482BRN 13199124-Phenyl-1-piperidino-4-(2-thienyl)-3-buten-2-one5-20-03-00395 (Beilstein Handbook Reference)
Database identifiers
- CAS
1866-06-4- PubChem CID
- 6433299
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 48.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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