3-Fluoropiperidin-4-one hydrochloride

C₅H₉ClFNOCAS 1070896-59-1153.58 g/mol

Open in Covalent MOL file

Alkyl halide Ketone Secondary amine

Properties

Molecular formula: C₅H₉ClFNO
Molar mass: 153.58 g/mol
Exact mass: 153.0357 Da
logP: 0.31Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

1070896-59-1

SMILES

C1CNCC(C1=O)F.Cl

InChIKey

BYUPJANSFLEUDQ-UHFFFAOYSA-N

InChI

InChI=1S/C5H8FNO.ClH/c6-4-3-7-2-1-5(4)8;/h4,7H,1-3H2;1H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

4-Piperidinone,3-fluoro,hcl

Work with 3-Fluoropiperidin-4-one hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 4-oxo-3-piperidinecarboxylate hydrochloride71486-53-847 % similar Ethyl 4-piperidone-3-carboxylate hydrochloride4644-61-545 % similar 4-Piperidone hydrochloride41979-39-940 % similar (R)-3-Fluoropyrrolidine hydrochloride136725-55-838 % similar 3-Pyrrolidinone, hydrochloride (1:1)3760-52-938 % similar (R)-2-Piperazinecarboxylic acid dihydrochloride126330-90-334 % similar 4-Piperidinecarboxylic acid, hydrochloride (1:1)5984-56-533 % similar (3R)-3-Pyrrolidinecarboxylic acid72580-54-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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