chempirical

3-(4-Piperidinyl)-1,2-benzisoxazole hydrochloride

C12H15ClN2OCAS 84163-22-4238.72 g/mol

Open in Covalent MOL file
HNNOHCl
Secondary amine

Properties

Molecular formula
C12H15ClN2O
Molar mass
238.72 g/mol
Exact mass
238.0873 Da
logP
2.72Crippen estimate
Polar surface area
38.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
84163-22-4
SMILES
C1CNCCC1C2=NOC3=CC=CC=C32.Cl
InChIKey
JVRIOVDBNNWSHA-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N2O.ClH/c1-2-4-11-10(3-1)12(14-15-11)9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H

Weigh it out

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

Work with 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-benzisoxazole hydrochloride84163-13-365 % similar 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole84163-77-958 % similar 4-Phenylpiperidine hydrochloride10272-49-847 % similar 2-Piperidin-4-yl-benzooxazole51784-03-344 % similar (R)-3-Phenyl-pyrrolidine hydrochloride851000-46-941 % similar 3-Phenyl-pyrrolidine hydrochloride857281-02-841 % similar α-Bromo-1,2-benzisoxazole-3-acetic acid37924-67-740 % similar 4-Phenylpiperidine771-99-339 % similar

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

Elsewhere

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