Metabolite 5-OH-gepirone
- Name
- 5-OH-gepirone
- Description
- Not Available
- Structure
Structure for 5-OH-gepirone
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 375.473
Monoisotopic: 375.227039814 - Chemical Formula
- C19H29N5O3
- InChI Key
- FPIFDKJZXXMJRK-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H29N5O3/c1-19(2)11-16(26)24(17(27)12-19)6-4-3-5-22-7-9-23(10-8-22)18-20-13-15(25)14-21-18/h13-14,25H,3-12H2,1-2H3
- IUPAC Name
- 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)C1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 8446312
- Predicted Properties
Property Value Source logP 0.32 Chemaxon pKa (Strongest Acidic) 8.67 Chemaxon pKa (Strongest Basic) 8.27 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 89.87 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 103.47 m3·mol-1 Chemaxon Polarizability 41.94 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