TL;DR: 1-[(2E)-3-phenylprop-2-enoyl]piperidine-4-carboxylic acid (CAS 147636-43-9) is a chemical compound with molecular formula C15H17NO3 and molecular weight 259.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylic acid
Also Known As: 1-(3-phenylprop-2-enoyl)piperidine-4-carboxylic Acid, 1-[(2E)-3-phenylprop-2-enoyl]piperidine-4-carboxylic acid, 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylic acid, 1-CINNAMOYLPIPERIDINE-4-CARBOXYLIC ACID, AB00744769-01
| Molecular Formula | C15H17NO3 |
| Molecular Weight | 259.12085 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.12085 Da |
| Heavy Atoms | 19 |
| Complexity | 350.0 |
| SMILES | C1CN(CCC1C(=O)O)C(=O)/C=C/C2=CC=CC=C2 |
| InChIKey | BARCAQQBDOOISH-VOTSOKGWSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2E)-3-phenylprop-2-enoyl]piperidine-4-carboxylic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 1-[(2E)-3-phenylprop-2-enoyl]piperidine-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2E)-3-phenylprop-2-enoyl]piperidine-4-carboxylic acid 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 1-[(2E)-3-phenylprop-2-enoyl]piperidine-4-carboxylic acid is 147636-43-9.
The molecular formula of 1-[(2E)-3-phenylprop-2-enoyl]piperidine-4-carboxylic acid is C15H17NO3.
The molecular weight of 1-[(2E)-3-phenylprop-2-enoyl]piperidine-4-carboxylic acid is 259.12085 g/mol.
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