TL;DR: 4-Piperidinol, 1-((2-phenylcyclopropyl)methyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, (E)- (CAS 102071-63-6) is a chemical compound with molecular formula C22H24F3NO and molecular weight 375.181 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[(1R,2R)-2-phenylcyclopropyl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
Also Known As: 4-Piperidinol, 1-((2-phenylcyclopropyl)methyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, (E)-, 1-(trans-2-Phenylcyclopropylmethyl)-4-(m-trifluoromethylphenyl)-4-piperidinol, 1-[[(1R,2R)-2-phenylcyclopropyl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol, 1-{[(1R,2R)-2-Phenylcyclopropyl]methyl}-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
| Molecular Formula | C22H24F3NO |
| Molecular Weight | 375.181 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.181 Da |
| Heavy Atoms | 27 |
| Complexity | 494.0 |
| SMILES | C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)C[C@@H]3C[C@H]3C4=CC=CC=C4 |
| InChIKey | RQHXTKRUAHNIES-PXNSSMCTSA-N |
The XLogP value of 4.4 indicates that 4-Piperidinol, 1-((2-phenylcyclopropyl)methyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, 4-Piperidinol, 1-((2-phenylcyclopropyl)methyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Piperidinol, 1-((2-phenylcyclopropyl)methyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, (E)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Piperidinol, 1-((2-phenylcyclopropyl)methyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, (E)- is 102071-63-6.
The molecular formula of 4-Piperidinol, 1-((2-phenylcyclopropyl)methyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, (E)- is C22H24F3NO.
The molecular weight of 4-Piperidinol, 1-((2-phenylcyclopropyl)methyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, (E)- is 375.181 g/mol.
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