Metabolite 4'-hydroxy-butyrfentanyl

Name
4'-hydroxy-butyrfentanyl
Description
Not Available
Structure
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 366.505
Monoisotopic: 366.230728214
Chemical Formula
C23H30N2O2
InChI Key
NYTWQGDYRIRPTG-UHFFFAOYSA-N
InChI
InChI=1S/C23H30N2O2/c1-2-6-23(27)25(20-7-4-3-5-8-20)21-14-17-24(18-15-21)16-13-19-9-11-22(26)12-10-19/h3-5,7-12,21,26H,2,6,13-18H2,1H3
IUPAC Name
N-{1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl}-N-phenylbutanamide
SMILES
CCCC(=O)N(C1CCN(CCC2=CC=C(O)C=C2)CC1)C1=CC=CC=C1
Reactions
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0816 mg/mLALOGPS
logP4.24ALOGPS
logP3.78ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)10.27ChemAxon
pKa (Strongest Basic)8.62ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area43.78 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity110.06 m3·mol-1ChemAxon
Polarizability43.08 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon