Chemical Properties of Pipamperone (CAS 1893-33-0)

InChI

InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)

InChI Key

AXKPFOAXAHJUAG-UHFFFAOYSA-N

Formula

C21H30FN3O2

SMILES

NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1

Molecular Weight¹

375.48

CAS

1893-33-0

Other Names

• (1,4'-Bipiperidine)-4'-carboxamide, 1'-(3-(p-fluorobenzoyl)propyl)-
• Dipiperal
• Dipiperon
• Dipiperone
• Floropipamide
• 1'-(3-(p-Fluorobenzoyl)propyl)(1,4'-bipiperidine)-4'-carboxamide
• 4'-Fluoro-4-(4-N-piperidino-4-carbamidopiperidino)butyrophenone
• p-Fluoro-«gamma»-(4-piperidino-4-carbamoylpiperidino)butyrophenone
• Isonipecotamide, 1-(3-(p-fluorobenzoyl)propyl)-4-piperidino-
• McN-JR-3345
• Pipaneperone
• Piperonyl
• R 3345
• [1,4'-Bipiperidine]-4'-carboxamide, 1'-[4-(4-fluorophenyl)-4-oxobutyl]-

• 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_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	0.8366		Relay (... Calculated Property
ΔfG°	60.77	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-527.55	kJ/mol	Relay (... Calculated Property
ΔvapH°	122.45	kJ/mol	Relay (... Calculated Property
IE	7.98	eV	Relay (... Calculated Property
log10WS	-3.23		Relay (... Calculated Property
logPoct/wat	2.594		Crippen Calculated Property
McVol	296.120	ml/mol	McGowan Calculated Property
Pc	1217.57	kPa	Relay (... Calculated Property ⚠️
Inp	[3070.00; 3090.00]
Inp	3090.00		NIST
Inp	3070.00		NIST
Inp	3070.00		NIST
Inp	3090.00		NIST
Tboil	707.55	K	Relay (... Calculated Property
Tc	965.89	K	Relay (... Calculated Property
Tfus	414.33	K	Relay (... Calculated Property
Vc	1.047	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Pipamperone.

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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