chempirical

6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole

C12H13FN2OCAS 84163-77-9220.25 g/mol

Open in Covalent MOL file
FNHNO
Aryl halideSecondary amine

Properties

Molecular formula
C12H13FN2O
Molar mass
220.25 g/mol
Exact mass
220.1012 Da
Melting point
302–306 °C
logP
2.43Crippen estimate
Polar surface area
38.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
84163-77-9
SMILES
Fc1ccc2c(C3CCNCC3)noc2c1
InChIKey
MRMGJMGHPJZSAE-UHFFFAOYSA-N
InChI
InChI=1S/C12H13FN2O/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2

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

Names and synonyms

8 names
  • 1,2-Benzisoxazole, 6-fluoro-3-(4-piperidinyl)-
  • R 56109
  • 4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidine
  • 6-Fluoro-3-(4-piperidinyl)benzisoxazole
  • 6-Fluoro-3-(piperidin-4-yl)benzo[d]isoxazole
  • 3-(4-Piperidinyl)-6-fluorobenzo[d]isoxazole
  • 4-(6-Fluorobenzo[d]isoxazol-3-yl)piperidine
  • 6-Fluoro-3-(piperidin-4-yl)benz[d]isoxazole

Work with 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole

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

6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride84163-13-392 % similar Risperidone106266-06-242 % similar Iloperidone133454-47-441 % similar Paliperidone144598-75-440 % similar Paliperidone palmitate199739-10-133 % similar 1,2,3,4,5,6-Hexahydro-[4,4′]bipyridinyl581-45-333 % similar Methanone, (2,4-difluorophenyl)-4-piperidinyl-, oxime, hydrochloride (1:1)135634-18-332 % similar 4-(4-Fluorobenzoyl)piperidine hydrochloride25519-78-231 % similar

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

Elsewhere

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