chempirical

Haloperidol

C21H23ClFNO2CAS 52-86-8375.87 g/mol

Open in Covalent MOL file
ONOHClF
AlcoholAryl halideKetoneTertiary amine

Properties

Molecular formula
C21H23ClFNO2
Molar mass
375.87 g/mol
Exact mass
375.1401 Da
Melting point
151.5 °C
logP
4.43Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
6

Identifiers

CAS number
52-86-8
SMILES
O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIKey
LNEPOXFFQSENCJ-UHFFFAOYSA-N
InChI
InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2

Weigh it out

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

Names and synonyms

28 names · show all
  • 1-Butanone, 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-
  • Butyrophenone, 4-[4-(p-chlorophenyl)-4-hydroxypiperidino]-4′-fluoro-
  • 4-(4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone
  • R 1625
  • 4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4′-fluorobutyrophenone
  • γ-[4-(p-Chlorphenyl)-4-hydroxypiperidino]-p-fluorbutyrophenone
  • 1-(3-p-Fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine
  • Haldol
  • 4-(4-Hydroxy-4′-chloro-4-phenylpiperidino)-4′-fluorobutyrophenone
  • Serenase
  • Serenace
  • Aloperidin
  • Serenelfi
  • Haloperin
  • Neurodol
  • Eukystol
  • Dozic
  • Peluces
  • Einalon S
  • Keselan
  • Sigaperidol
  • Brotopon
  • Halosten
  • Linton
  • Bioperidolo
  • McN-JR 1625
  • NSC 170973
  • NSC 615296

Work with Haloperidol

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

Bromperidol10457-90-677 % similar Pipamperone1893-33-052 % similar 4-Chloro-1-(4-fluorophenyl)-1-butanone3874-54-248 % similar Loperamide53179-11-647 % similar Fluanisone1480-19-946 % similar 4-Chloro-1-(4-chlorophenyl)-1-butanone40877-09-646 % similar Azaperone1649-18-946 % similar Loperamide hydrochloride34552-83-545 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook