TL;DR: alpha,alpha'-Bis(3-(N,N-diethylcarbamoyl)piperidino)-p-xylene dihydrobromide (CAS 142632-31-3) is a chemical compound with molecular formula C28H48Br2N4O2 and molecular weight 630.2144 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
Also Known As: alpha,alpha'-Bis(3-(N,N-diethylcarbamoyl)piperidino)-p-xylene dihydrobromide, 17288-EP2269993A1, 17288-EP2275105A1, 17288-EP2275411A2, 17288-EP2275422A1
| Molecular Formula | C28H48Br2N4O2 |
| Molecular Weight | 630.2144 g/mol |
| XLogP | 5.0032 |
| Topological Polar Surface Area (TPSA) | 47.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 630.2144 Da |
| Heavy Atoms | 36 |
| Complexity | 572.0 |
| SMILES | CCN(CC)C(=O)[C@@H]1CCCN(C1)CC2=CC=C(C=C2)CN3CCC[C@H](C3)C(=O)N(CC)CC.Br.Br |
| InChIKey | OJASMMNWWIJWFK-KUSCCAPHSA-N |
The XLogP value of 5.0032 indicates that alpha,alpha'-Bis(3-(N,N-diethylcarbamoyl)piperidino)-p-xylene dihydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.1 Ų, alpha,alpha'-Bis(3-(N,N-diethylcarbamoyl)piperidino)-p-xylene dihydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha,alpha'-Bis(3-(N,N-diethylcarbamoyl)piperidino)-p-xylene dihydrobromide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of alpha,alpha'-Bis(3-(N,N-diethylcarbamoyl)piperidino)-p-xylene dihydrobromide is 142632-31-3.
The molecular formula of alpha,alpha'-Bis(3-(N,N-diethylcarbamoyl)piperidino)-p-xylene dihydrobromide is C28H48Br2N4O2.
The molecular weight of alpha,alpha'-Bis(3-(N,N-diethylcarbamoyl)piperidino)-p-xylene dihydrobromide is 630.2144 g/mol.
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