Isonipecotic acid, 1-(2-(p-fluorobenzoyl)ethyl)-4-phenyl-, ethyl ester, hydrochloride
Basic information
- CAS
102395-65-3- Standard SMILES
CCOC(=O)C1(c2ccccc2)CC[NH+](CCC(=O)c2ccc(F)cc2)CC1.[Cl-]- InChIKey
MGGVEQTYGWIXEV-UHFFFAOYSA-N- Molecular formula
- C23H27ClFNO3
- Average molar mass
- 419.9 g/mol
- Monoisotopic mass
- 419.1663496
Names & identifiers
- Preferred name
- Isonipecotic acid, 1-(2-(p-fluorobenzoyl)ethyl)-4-phenyl-, ethyl ester, hydrochloride
- IUPAC
- ethyl 1-[3-(4-fluorophenyl)-3-oxopropyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride
Names & synonyms
Isonipecotic acid, 1-(2-(p-fluorobenzoyl)ethyl)-4-phenyl-, ethyl ester, hydrochloride1-(2-(p-Fluorobenzoyl)ethyl)-4-phenylisonipecotic acid ethyl ester hydrochloride4-Fluorophenyl-2-(4-carbethoxy-4-phenylpiperidino)ethyl ketone hydrochloride102395-65-3RefChem:349727
Database identifiers
- CAS
102395-65-3- PubChem CID
- 59328
Properties
Computed structural properties
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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