TL;DR: 1,4-Dimethyl-3-phenylpyrrolidin-3-ol (CAS 105972-04-1) is a chemical compound with molecular formula C12H17NO and molecular weight 191.13101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-dimethyl-3-phenylpyrrolidin-3-ol
Also Known As: 1,4-dimethyl-3-phenylpyrrolidin-3-ol, 1,4-dimethyl-3-phenyl-pyrrolidin-3-ol
| Molecular Formula | C12H17NO |
| Molecular Weight | 191.13101 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.13101 Da |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
| SMILES | CC1CN(CC1(C2=CC=CC=C2)O)C |
| InChIKey | XDFQFXXJLSXTQA-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dimethyl-3-phenylpyrrolidin-3-ol. With a topological polar surface area (TPSA) of 23.5 Ų, 1,4-Dimethyl-3-phenylpyrrolidin-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dimethyl-3-phenylpyrrolidin-3-ol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,4-Dimethyl-3-phenylpyrrolidin-3-ol is 105972-04-1.
The molecular formula of 1,4-Dimethyl-3-phenylpyrrolidin-3-ol is C12H17NO.
The molecular weight of 1,4-Dimethyl-3-phenylpyrrolidin-3-ol is 191.13101 g/mol.
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