TL;DR: 2-(3,4-dichlorophenyl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone (CAS 130497-33-5) is a chemical compound with molecular formula C18H24Cl2N2O and molecular weight 354.12656 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,4-dichlorophenyl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
Also Known As: Lopac-B-5559, BRL-52537A, 2-(3,4-dichlorophenyl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone, (2S)-1-[(3,4-Dichlorophenyl)acetyl]-2-(1-pyrrolidinylmethyl)piperidine, 1-[(2S)-2alpha-(Pyrrolizinomethyl)piperidino]-2-(3,4-dichlorophenyl)ethanone
| Molecular Formula | C18H24Cl2N2O |
| Molecular Weight | 354.12656 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.12656 Da |
| Heavy Atoms | 23 |
| Complexity | 400.0 |
| SMILES | C1CCN([C@@H](C1)CN2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl |
| InChIKey | GHCCBWMZKJQGLS-HNNXBMFYSA-N |
The XLogP value of 4.0 indicates that 2-(3,4-dichlorophenyl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, 2-(3,4-dichlorophenyl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-dichlorophenyl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone has 0 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 2-(3,4-dichlorophenyl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone is 130497-33-5.
The molecular formula of 2-(3,4-dichlorophenyl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone is C18H24Cl2N2O.
The molecular weight of 2-(3,4-dichlorophenyl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone is 354.12656 g/mol.
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