Metabolite 4-OH-methyl-gepirone
- Name
- 4-OH-methyl-gepirone
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 375.473
Monoisotopic: 375.227039814 - Chemical Formula
- C19H29N5O3
- InChI Key
- CZKLWRLTNBOHFU-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H29N5O3/c1-19(15-25)13-16(26)24(17(27)14-19)8-3-2-7-22-9-11-23(12-10-22)18-20-5-4-6-21-18/h4-6,25H,2-3,7-15H2,1H3
- IUPAC Name
- 4-(hydroxymethyl)-4-methyl-1-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}piperidine-2,6-dione
- SMILES
- CC1(CO)CC(=O)N(CCCCN2CCN(CC2)C2=NC=CC=N2)C(=O)C1
- Reactions
- Gepirone 4-OH-methyl-gepirone
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source logP 0.071 Chemaxon pKa (Strongest Acidic) 15.08 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 7 Chemaxon Refractivity 103.27 m3·mol-1 Chemaxon Polarizability 41.77 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