Pitolisant

C₁₇H₂₆ClNOCAS 362665-56-3295.85 g/mol

Open in Covalent MOL file

Aryl halide Ether Tertiary amine

Properties

Molecular formula: C₁₇H₂₆ClNO
Molar mass: 295.85 g/mol
Exact mass: 295.1703 Da
logP: 4.17Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 8

Hazards

Warning

H361fd Suspected of damaging fertility; Suspected of damaging the unborn child100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number

362665-56-3

SMILES

Clc1ccc(CCCOCCCN2CCCCC2)cc1

InChIKey

NNACHAUCXXVJSP-UHFFFAOYSA-N

InChI

InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2

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Names and synonyms

4 names

Piperidine, 1-[3-[3-(4-chlorophenyl)propoxy]propyl]-
1-[3-[3-(4-Chlorophenyl)propoxy]propyl]piperidine
3-(4-Chlorophenyl)propyl 3-piperidinopropyl ether
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Work with Pitolisant

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

Cloperastine3703-76-250 % similar Cloperastine hydrochloride14984-68-047 % similar 1-Butyl-4-chlorobenzene15499-27-143 % similar 4-Chlorobenzenepropanol6282-88-843 % similar Moclobemide71320-77-939 % similar N-(2-(4-Chloromethylphenoxy)ethyl)hexahydro-1H-azepine hydrochloride223251-25-039 % similar 1-(4-Chlorobenzyl)piperazine23145-88-238 % similar Clemizole442-52-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Eperisone hydrochloride56839-43-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook