Chemical Properties of Bromperidol (CAS 10457-90-6)

InChI

InChI=1S/C21H23BrFNO2/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

InChI Key

RKLNONIVDFXQRX-UHFFFAOYSA-N

Formula

C21H23BrFNO2

SMILES

O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1

Molecular Weight¹

420.31

CAS

10457-90-6

Other Names

• 1-Butanone, 4-[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-
• Butyrophenone, 4-(4-(p-bromophenyl)-4-hydroxypiperidino)-4'-fluoro-
• Bromoperidol
• 4-(4-(p-Bromophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone
• 4-(4-(4-Bromophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone
• 4-(4-(4-Bromophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone
• R 11333
• 1-Butanone, 4-[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-
• Azurene
• Impromen
• Tesoprel
• 1-(4-Fluorophenyl)-4-[4-hydroxy-4-(4-bromophenyl)-1-piperidinyl]-1-butanone (bromoperidol)

• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Bromperidol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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