Metabolite ω-hydroxy-butyrfentanyl

Name
ω-hydroxy-butyrfentanyl
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 366.505
Monoisotopic: 366.230728214
Chemical Formula
C23H30N2O2
InChI Key
KQNFNXVUQAGCHW-UHFFFAOYSA-N
InChI
InChI=1S/C23H30N2O2/c26-19-7-12-23(27)25(21-10-5-2-6-11-21)22-14-17-24(18-15-22)16-13-20-8-3-1-4-9-20/h1-6,8-11,22,26H,7,12-19H2
IUPAC Name
4-hydroxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
SMILES
OCCCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1
Reactions
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0821 mg/mLALOGPS
logP3.39ALOGPS
logP2.82ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)15.96ChemAxon
pKa (Strongest Basic)8.77ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area43.78 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity110.01 m3·mol-1ChemAxon
Polarizability43.06 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon