TL;DR: 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((diphenylamino)methyl)-1-piperazineethanol (CAS 143760-26-3) is a chemical compound with molecular formula C35H39F2N3O and molecular weight 555.3061 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-(N-phenylanilino)propan-2-ol
Also Known As: 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((diphenylamino)methyl)-1-piperazineethanol, 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(3-(N,N-diphenylamino)-2-hydroxypropyl)piperazine, 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((diphenylamino)methyl)-, 1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-(N-phenylanilino)propan-2-ol, 1-{4-[4,4-Bis(4-fluorophenyl)butyl]piperazin-1-yl}-3-(diphenylamino)propan-2-ol
| Molecular Formula | C35H39F2N3O |
| Molecular Weight | 555.3061 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 30.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 555.3061 Da |
| Heavy Atoms | 41 |
| Complexity | 666.0 |
| SMILES | C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CC(CN(C4=CC=CC=C4)C5=CC=CC=C5)O |
| InChIKey | UFHNVHBLHIJXON-UHFFFAOYSA-N |
The XLogP value of 7.2 indicates that 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((diphenylamino)methyl)-1-piperazineethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.0 Ų, 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((diphenylamino)methyl)-1-piperazineethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((diphenylamino)methyl)-1-piperazineethanol has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((diphenylamino)methyl)-1-piperazineethanol is 143760-26-3.
The molecular formula of 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((diphenylamino)methyl)-1-piperazineethanol is C35H39F2N3O.
The molecular weight of 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((diphenylamino)methyl)-1-piperazineethanol is 555.3061 g/mol.
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