TL;DR: 4-Piperidinecarboxylic acid, 4-(4-cyclopropylphenyl)-1-methyl-, ethyl ester, hydrochloride (CAS 130820-11-0) is a chemical compound with molecular formula C18H26ClNO2 and molecular weight 323.1652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate;hydrochloride
Also Known As: 4-Piperidinecarboxylic acid, 4-(4-cyclopropylphenyl)-1-methyl-, ethyl ester, hydrochloride, Ethyl 4-(4-cyclopropylphenyl)-1-methyl-4-piperidinecarboxylate hydrochloride, 4-(4-Cyclopropylphenyl)-1-methyl-4-piperidinyl propionate hydrochloride, ethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate hydrochloride, Ethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate--hydrogen chloride (1/1)
| Molecular Formula | C18H26ClNO2 |
| Molecular Weight | 323.1652 g/mol |
| XLogP | 3.5123 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.1652 Da |
| Heavy Atoms | 22 |
| Complexity | 361.0 |
| SMILES | CCOC(=O)C1(CCN(CC1)C)C2=CC=C(C=C2)C3CC3.Cl |
| InChIKey | JJSSFMCWFLPJRG-UHFFFAOYSA-N |
The XLogP value of 3.5123 indicates that 4-Piperidinecarboxylic acid, 4-(4-cyclopropylphenyl)-1-methyl-, ethyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 4-Piperidinecarboxylic acid, 4-(4-cyclopropylphenyl)-1-methyl-, ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Piperidinecarboxylic acid, 4-(4-cyclopropylphenyl)-1-methyl-, ethyl ester, hydrochloride has 1 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-Piperidinecarboxylic acid, 4-(4-cyclopropylphenyl)-1-methyl-, ethyl ester, hydrochloride is 130820-11-0.
The molecular formula of 4-Piperidinecarboxylic acid, 4-(4-cyclopropylphenyl)-1-methyl-, ethyl ester, hydrochloride is C18H26ClNO2.
The molecular weight of 4-Piperidinecarboxylic acid, 4-(4-cyclopropylphenyl)-1-methyl-, ethyl ester, hydrochloride is 323.1652 g/mol.
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