Metabolite Despropionylfentanyl

Name
Despropionylfentanyl
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
Q88EHD0U8G
CAS number
Not Available
Weight
Average: 280.415
Monoisotopic: 280.193948781
Chemical Formula
C19H24N2
InChI Key
ZCMDXDQUYIWEKB-UHFFFAOYSA-N
InChI
InChI=1S/C19H24N2/c1-3-7-17(8-4-1)11-14-21-15-12-19(13-16-21)20-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2
IUPAC Name
N-phenyl-1-(2-phenylethyl)piperidin-4-amine
SMILES
C(CC1=CC=CC=C1)N1CCC(CC1)NC1=CC=CC=C1
Reactions
ChemSpider
80209
ZINC
ZINC000000272395
Predicted Properties
PropertyValueSource
Water Solubility0.0166 mg/mLALOGPS
logP4.61ALOGPS
logP3.49ChemAxon
logS-4.2ALOGPS
pKa (Strongest Basic)9.16ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area15.27 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity91.07 m3·mol-1ChemAxon
Polarizability34.17 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon