chempirical

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

C12H14ClFN2OCAS 84163-13-3256.71 g/mol

Open in Covalent MOL file
HClFNHNO
Aryl halideSecondary amine

Properties

Molecular formula
C12H14ClFN2O
Molar mass
256.71 g/mol
Exact mass
256.0779 Da
Melting point
293–295 °C
logP
2.86Crippen estimate
Polar surface area
38.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
84163-13-3
SMILES
Cl.Fc1ccc2c(C3CCNCC3)noc2c1
InChIKey
CWPSRUREOSBKBQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H13FN2O.ClH/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;1H

Weigh it out

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

Names and synonyms

7 names
  • 1,2-Benzisoxazole, 6-fluoro-3-(4-piperidinyl)-, hydrochloride (1:1)
  • 1,2-Benzisoxazole, 6-fluoro-3-(4-piperidinyl)-, monohydrochloride
  • 4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidine hydrochloride
  • 6-Fluoro-3-(4-piperidinyl)benzisoxazole hydrochloride
  • 6-Fluoro-3-(piperidin-4-yl)benzo[d]isoxazole hydrochloride
  • 6-Fluoro-3-(piperidinyl-4-yl)-benzisoxazole hydrochloride
  • 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole monohydrochloride

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

6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole84163-77-992 % similar Iloperidone133454-47-442 % similar Risperidone106266-06-240 % similar (2,4-Difluorophenyl)(piperidin-4-yl)methanone hydrochloride106266-04-039 % similar Paliperidone144598-75-438 % similar 4-(4-Fluorobenzoyl)piperidine hydrochloride25519-78-237 % similar Methanone, (2,4-difluorophenyl)-4-piperidinyl-, oxime, hydrochloride (1:1)135634-18-337 % similar (R)-2-(2,5-Difluorophenyl)pyrrolidine hydrochloride1218935-60-434 % similar

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

Elsewhere

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