Chemical Properties of Azaperone (CAS 1649-18-9)

InChI

InChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2

InChI Key

XTKDAFGWCDAMPY-UHFFFAOYSA-N

Formula

C19H22FN3O

SMILES

O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1

Molecular Weight¹

327.40

CAS

1649-18-9

Other Names

• 1-Butanone, 1-(4-fluorophenyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-
• Butyrophenone, 4'-fluoro-4-[4-(2-pyridyl)-1-piperazinyl]-
• Fluoperidol
• R-1929
• Stresnil
• Suicalm
• Azeperone
• Eucalmyl
• Sedaperone vet
• 4'-Fluoro-4-(4-(2-pyridyl)-1-piperazinyl)butyrophenone
• 1-(3-(4-Fluorobenzoyl)propyl)-4-(2-pyridyl)piperazine
• 1-(4-Fluorophenyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-1-butanone
• 4'-Fluoro-4-[4-(2-pyridinyl)-1-piperazinyl]butyrophenone
• NSC 170976
• 1-(4-Fluorophenyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-1-butanone (azaperone)

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7411		Relay (1.0) Calculated Property
ΔfG°	221.02	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-120.45	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	124.69	kJ/mol	Relay (1.0) Calculated Property
IE	8.55	eV	Relay (1.0) Calculated Property
log10WS	-3.32		Relay (1.0) Calculated Property
logPoct/wat	3.006		Crippen Calculated Property
McVol	253.470	ml/mol	McGowan Calculated Property
Pc	1756.78	kPa	Relay (1.0-beta) Calculated Property
Inp	[2703.00; 2727.00]
Inp	2703.00		NIST
Inp	2727.00		NIST
Inp	2705.00		NIST
Inp	2705.00		NIST
Inp	2703.00		NIST
Tboil	688.25	K	Relay (1.0) Calculated Property
Tc	950.93	K	Relay (1.0) Calculated Property
Tfus	362.81	K	Relay (1.0) Calculated Property
Vc	0.914	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Azaperone.

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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