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4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone

ChemSpider ID: 13842239
Molecular Formula: C₂₁H₂₃ClFNO₂
Monoisotopic mass: 375.140137 Da
Systematic name

4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone
SMILES and InChIs

SMILES:

Fc1ccc(cc1)C(=O)CCCN2CCC(O)(CC2)c3ccc(Cl)cc3 Copied

Std. 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 Copied

Std. InChIKey:

LNEPOXFFQSENCJ-UHFFFAOYSA-N Copied

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Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	3.014	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	0.49	ACD/LogD (pH 7.4):	2.19
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	17.17
ACD/KOC (pH 5.5):	3.10	ACD/KOC (pH 7.4):	155.13
#H bond acceptors:	3	#H bond donors:	1
#Freely Rotating Bonds:	7	Polar Surface Area:	40.54 Å²
Index of Refraction:	1.58	Molar Refractivity:	101.012 cm³
Molar Volume:	303.279 cm³	Polarizability:	40.044 10^-24cm³
Surface Tension:	47.9059982299805 dyne/cm	Density:	1.239 g/cm³
Flash Point:	273.75 °C	Enthalpy of Vaporization:	84.63 kJ/mol
Boiling Point:	529.034 °C at 760 mmHg	Vapour Pressure:	0 mmHg at 25°C

Click to predict properties on the Chemicalize site

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