TL;DR: N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid (CAS 1185094-31-8) is a chemical compound with molecular formula C21H24ClF3N2O3 and molecular weight 444.14276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
Also Known As: N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid, N-(2-chlorophenyl)-1-(2-methoxybenzyl)-4-piperidinamine trifluoroacetate, IUPAC: N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine; 2,2,2-trifluoroacetic Acid, N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine; 2,2,2-trifluoroacetic acid
| Molecular Formula | C21H24ClF3N2O3 |
| Molecular Weight | 444.14276 g/mol |
| XLogP | 5.0584 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.14276 Da |
| Heavy Atoms | 30 |
| Complexity | 430.0 |
| SMILES | COC1=CC=CC=C1CN2CCC(CC2)NC3=CC=CC=C3Cl.C(=O)(C(F)(F)F)O |
| InChIKey | HLCQALLKWUKGFY-UHFFFAOYSA-N |
The XLogP value of 5.0584 indicates that N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid. Following Lipinski's Rule of Five, N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid is 1185094-31-8.
The molecular formula of N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid is C21H24ClF3N2O3.
The molecular weight of N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid is 444.14276 g/mol.
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