Metabolite 2-piperazinyl-OH-gepirone

Name
2-piperazinyl-OH-gepirone
Description
Not Available
Structure
Similar Structures
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 375.473
Monoisotopic: 375.227039814
Chemical Formula
C19H29N5O3
InChI Key
DJKCFMAMDWTXFC-UHFFFAOYSA-N
InChI
InChI=1S/C19H29N5O3/c1-19(2)12-15(25)23(16(26)13-19)9-4-3-8-22-10-11-24(17(27)14-22)18-20-6-5-7-21-18/h5-7,17,27H,3-4,8-14H2,1-2H3
IUPAC Name
1-{4-[3-hydroxy-4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-4,4-dimethylpiperidine-2,6-dione
SMILES
CC1(C)CC(=O)N(CCCCN2CCN(C(O)C2)C2=NC=CC=N2)C(=O)C1
Reactions
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Not Available
Predicted Properties
PropertyValueSource
logP0.99Chemaxon
pKa (Strongest Acidic)12.91Chemaxon
pKa (Strongest Basic)7.98Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area89.87 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity102.52 m3·mol-1Chemaxon
Polarizability41.61 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon