TL;DR: rel-(3R,4R)-3,4-Piperidinediol (CAS 135501-61-0) is a chemical compound with molecular formula C5H11NO2 and molecular weight 117.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,4R)-piperidine-3,4-diol
Also Known As: trans-3,4-Dihydroxypiperidine, (3R,4R)-piperidine-3,4-diol, trans-3,4-piperidinediol, PIPERIDINE-3,4-DIOL, trans-piperidine-3,4-diol
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C5H11NO2 |
| Molecular Weight | 117.07898 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 52.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 117.07898 Da |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
| SMILES | C1CNC[C@H]([C@@H]1O)O |
| InChIKey | IZXWMVPZODQBRB-RFZPGFLSSA-N |
The XLogP value of -1.3 indicates that rel-(3R,4R)-3,4-Piperidinediol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.5 Ų, rel-(3R,4R)-3,4-Piperidinediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-(3R,4R)-3,4-Piperidinediol has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of rel-(3R,4R)-3,4-Piperidinediol is 135501-61-0.
The molecular formula of rel-(3R,4R)-3,4-Piperidinediol is C5H11NO2.
The molecular weight of rel-(3R,4R)-3,4-Piperidinediol is 117.07898 g/mol.
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