TL;DR: 4-Piperidinol, 1-(2-phenylcyclopropyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride, (E)- (CAS 102071-64-7) is a chemical compound with molecular formula C21H23ClF3NO and molecular weight 397.14203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(1R,2S)-2-phenylcyclopropyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydrochloride
Also Known As: 4-Piperidinol, 1-(2-phenylcyclopropyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride, (E)-, 1-(trans-2-Phenylcyclopropyl)-4-hydroxy-4-(m-trifluoromethylphenyl)piperidine hydrochloride, 1-[(1R,2S)-2-phenylcyclopropyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol hydrochloride, 1-[(1R,2S)-2-Phenylcyclopropyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol--hydrogen chloride (1/1)
| Molecular Formula | C21H23ClF3NO |
| Molecular Weight | 397.14203 g/mol |
| XLogP | 4.9667 |
| Topological Polar Surface Area (TPSA) | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.14203 Da |
| Heavy Atoms | 27 |
| Complexity | 480.0 |
| SMILES | C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)[C@@H]3C[C@H]3C4=CC=CC=C4.Cl |
| InChIKey | BYDOPSYBUGBWER-GRTNUQQKSA-N |
The XLogP value of 4.9667 indicates that 4-Piperidinol, 1-(2-phenylcyclopropyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride, (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)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Piperidinol, 1-(2-phenylcyclopropyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride, (E)- has 2 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)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride, (E)- is 102071-64-7.
The molecular formula of 4-Piperidinol, 1-(2-phenylcyclopropyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride, (E)- is C21H23ClF3NO.
The molecular weight of 4-Piperidinol, 1-(2-phenylcyclopropyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride, (E)- is 397.14203 g/mol.
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