Metabolite 3'-OH-gepirone
- Name
- 3'-OH-gepirone
- Description
- Not Available
- Structure
Structure for 3'-OH-gepirone
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 375.473
Monoisotopic: 375.227039814 - Chemical Formula
- C19H29N5O3
- InChI Key
- BXIVMLSVUJVOQG-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H29N5O3/c1-19(2)14-15(25)24(17(27)16(19)26)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7,16,26H,3-4,8-14H2,1-2H3
- IUPAC Name
- 3-hydroxy-4,4-dimethyl-1-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}piperidine-2,6-dione
- SMILES
- CC1(C)CC(=O)N(CCCCN2CCN(CC2)C2=NC=CC=N2)C(=O)C1O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 8018299
- ChEMBL
- CHEMBL2078927
- Predicted Properties
Property Value Source logP 0.64 Chemaxon pKa (Strongest Acidic) 12.68 Chemaxon pKa (Strongest Basic) 8.54 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 102.83 m3·mol-1 Chemaxon Polarizability 41.62 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