Isonipecotic acid, 1-(2-(p-fluorobenzoyl)ethyl)-4-phenyl-, ethyl ester, hydrochloride

ethyl 1-[3-(4-fluorophenyl)-3-oxopropyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride

CAS: 102395-65-3

Molecular Formula	`C23H27ClFNO3`
Molecular Weight	419.9 g/mol
Topological Polar Surface Area	47.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	419.16635
Heavy Atoms	29
Complexity	516.0

Chemical Identifiers

CAS Number	102395-65-3
SMILES	`CCOC(=O)C1(CC[NH+](CC1)CCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3.[Cl-]`
InChIKey	`MGGVEQTYGWIXEV-UHFFFAOYSA-N`

📖 Product Overview

Isonipecotic acid, 1-(2-(p-fluorobenzoyl)ethyl)-4-phenyl-, ethyl ester, hydrochloride (CAS: 102395-65-3) is a chemical compound with molecular formula C23H27ClFNO3 and molecular weight 419.9 g/mol. Its IUPAC systematic name is ethyl 1-[3-(4-fluorophenyl)-3-oxopropyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride. Topological Polar Surface Area 47.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 8 Exact Mass 419.16635 Heavy Atoms 29 Complexity 516.0 InChI Key: MGGVEQTYGWIXEV-UHFFFAOYSA-N. SMILES: CCOC(=O)C1(CC[NH+](CC1)CCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3.[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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