TL;DR: 2-Cyclopenten-1-one, 2,5-dihydroxy-5-methyl-3-piperidinoamino- (CAS 63937-29-1) is a chemical compound with molecular formula C11H18N2O3 and molecular weight 226.13174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-dihydroxy-5-methyl-3-(piperidin-1-ylamino)cyclopent-2-en-1-one
Also Known As: Reductone, piperidino-, Piperidino hexose reductone, 2-Cyclopenten-1-one, 2,5-dihydroxy-5-methyl-3-piperidinoamino-, 2,5-dihydroxy-5-methyl-3-(piperidin-1-ylamino)cyclopent-2-en-1-one, 2,5-Dihydroxy-5-methyl-3-piperidinoamino-2-cyclopenten-1-one
| Molecular Formula | C11H18N2O3 |
| Molecular Weight | 226.13174 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 72.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.13174 Da |
| Heavy Atoms | 16 |
| Complexity | 334.0 |
| SMILES | CC1(CC(=C(C1=O)O)NN2CCCCC2)O |
| InChIKey | ZKEGGSPWBGCPNF-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclopenten-1-one, 2,5-dihydroxy-5-methyl-3-piperidinoamino-. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyclopenten-1-one, 2,5-dihydroxy-5-methyl-3-piperidinoamino-. Following Lipinski's Rule of Five, 2-Cyclopenten-1-one, 2,5-dihydroxy-5-methyl-3-piperidinoamino- has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Cyclopenten-1-one, 2,5-dihydroxy-5-methyl-3-piperidinoamino- is 63937-29-1.
The molecular formula of 2-Cyclopenten-1-one, 2,5-dihydroxy-5-methyl-3-piperidinoamino- is C11H18N2O3.
The molecular weight of 2-Cyclopenten-1-one, 2,5-dihydroxy-5-methyl-3-piperidinoamino- is 226.13174 g/mol.
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