Metabolite 3',5-di-OH-gepirone
- Name
- 3',5-di-OH-gepirone
- Description
- Not Available
- Structure
Structure for 3',5-di-OH-gepirone
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 391.472
Monoisotopic: 391.221954434 - Chemical Formula
- C19H29N5O4
- InChI Key
- QQMVSPAEOUEOLJ-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H29N5O4/c1-19(2)11-15(26)24(17(28)16(19)27)6-4-3-5-22-7-9-23(10-8-22)18-20-12-14(25)13-21-18/h12-13,16,25,27H,3-11H2,1-2H3
- IUPAC Name
- 3-hydroxy-1-{4-[4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl]butyl}-4,4-dimethylpiperidine-2,6-dione
- SMILES
- CC1(C)CC(=O)N(CCCCN2CCN(CC2)C2=NC=C(O)C=N2)C(=O)C1O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 8397549
- Predicted Properties
Property Value Source logP -0.39 Chemaxon pKa (Strongest Acidic) 8.67 Chemaxon pKa (Strongest Basic) 8.27 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 110.1 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 104.81 m3·mol-1 Chemaxon Polarizability 42.68 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon