TL;DR: Piperidine, N-acetyl-4-benzyl- (CAS 101997-42-6) is a chemical compound with molecular formula C14H19NO and molecular weight 217.14667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-benzylpiperidin-1-yl)ethanone
Also Known As: N-Acetyl-4-benzylpiperidine, 1-acetyl-4-benzylpiperidine, Piperidine, N-acetyl-4-benzyl-, 1-(4-benzylpiperidin-1-yl)ethan-1-one, 1-(4-benzylpiperidin-1-yl)ethanone
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H19NO |
| Molecular Weight | 217.14667 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.14667 Da |
| Heavy Atoms | 16 |
| Complexity | 225.0 |
| SMILES | CC(=O)N1CCC(CC1)CC2=CC=CC=C2 |
| InChIKey | BKQOKWBHIBQLIH-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperidine, N-acetyl-4-benzyl-. With a topological polar surface area (TPSA) of 20.3 Ų, Piperidine, N-acetyl-4-benzyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperidine, N-acetyl-4-benzyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piperidine, N-acetyl-4-benzyl- is 101997-42-6.
The molecular formula of Piperidine, N-acetyl-4-benzyl- is C14H19NO.
The molecular weight of Piperidine, N-acetyl-4-benzyl- is 217.14667 g/mol.
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