TL;DR: 4-Piperidinamine, 1-(2-ethoxyethyl)-3-methyl-N-phenyl-, dihydrochloride, trans- (CAS 126810-21-7) is a chemical compound with molecular formula C16H28Cl2N2O and molecular weight 334.15787 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R)-1-(2-ethoxyethyl)-3-methyl-5-phenylpiperidin-4-amine;dihydrochloride
Also Known As: 5-(4-Methoxyphenyl)nicotinonitrile, trans-1-(2-Ethoxyethyl)-3-methyl-N-phenyl-4-piperidinamine dihydrochloride, 4-Piperidinamine, 1-(2-ethoxyethyl)-3-methyl-N-phenyl-, dihydrochloride, trans-, (3S,4R)-1-(2-ethoxyethyl)-3-methyl-5-phenylpiperidin-4-amine dihydrochloride, (3S,4R)-1-(2-ethoxyethyl)-3-methyl-5-phenylpiperidin-4-amine,dihydrochloride
| Molecular Formula | C16H28Cl2N2O |
| Molecular Weight | 334.15787 g/mol |
| XLogP | 2.9293 |
| Topological Polar Surface Area (TPSA) | 38.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.15787 Da |
| Heavy Atoms | 21 |
| Complexity | 253.0 |
| SMILES | CCOCCN1C[C@@H]([C@H](C(C1)C2=CC=CC=C2)N)C.Cl.Cl |
| InChIKey | AXRRJQOMGYCFPJ-YORMZRPGSA-N |
The XLogP value of 2.9293 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Piperidinamine, 1-(2-ethoxyethyl)-3-methyl-N-phenyl-, dihydrochloride, trans-. With a topological polar surface area (TPSA) of 38.5 Ų, 4-Piperidinamine, 1-(2-ethoxyethyl)-3-methyl-N-phenyl-, dihydrochloride, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Piperidinamine, 1-(2-ethoxyethyl)-3-methyl-N-phenyl-, dihydrochloride, trans- has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Piperidinamine, 1-(2-ethoxyethyl)-3-methyl-N-phenyl-, dihydrochloride, trans- is 126810-21-7.
The molecular formula of 4-Piperidinamine, 1-(2-ethoxyethyl)-3-methyl-N-phenyl-, dihydrochloride, trans- is C16H28Cl2N2O.
The molecular weight of 4-Piperidinamine, 1-(2-ethoxyethyl)-3-methyl-N-phenyl-, dihydrochloride, trans- is 334.15787 g/mol.
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