Basic information
- CAS
102395-64-2- Standard SMILES
C=C(C[NH+]1CCC(C(=O)OCC)(c2ccccc2)CC1)C(=O)c1ccc(F)cc1.[Cl-]- InChIKey
JUVKDVKZKPYCNE-UHFFFAOYSA-N- Molecular formula
- C24H27ClFNO3
- Average molar mass
- 431.9 g/mol
- Monoisotopic mass
- 431.1663496
Names & identifiers
- Preferred name
- Isonipecotic acid, 1-(2-(p-fluorobenzoyl)allyl)-4-phenyl-, ethyl ester, hydrochloride
- IUPAC
- ethyl 1-[2-(4-fluorobenzoyl)prop-2-enyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride
Names & synonyms
102395-64-2Isonipecotic acid, 1-(2-(p-fluorobenzoyl)allyl)-4-phenyl-, ethyl ester, hydrochloride1-(2-(p-Fluorobenzoyl)allyl)-4-phenylisonipecotic acid ethyl ester hydrochloride4-Fluorophenyl-1-methylene-2-(4-carbethoxy-4-phenylpiperidino)-ethyl ketone hydrochlorideRefChem:3497264-Fluorophenyl-1-methylene-2-(4-carbethoxy-4-phenylpiperidino)-ethyl k etone hydrochlorideethyl 1-[2-(4-fluorobenzoyl)prop-2-enyl]-4-phenylpiperidin-1-ium-4-carboxylate;chloride
Database identifiers
- CAS
102395-64-2- PubChem CID
- 59326
Properties
Computed structural properties
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 583
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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