1-(4-Benzylpiperidin-1-yl)-2-chloroethan-1-one
TL;DR: 1-(4-Benzylpiperidin-1-yl)-2-chloroethan-1-one (CAS 158890-32-5) is a chemical compound with molecular formula C14H18ClNO and molecular weight 251.1077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-benzylpiperidin-1-yl)-2-chloroethanone
Also Known As: 1-(4-Benzyl-piperidin-1-yl)-2-chloro-ethanone, 1-(4-benzylpiperidin-1-yl)-2-chloroethan-1-one, 1-(4-benzylpiperidin-1-yl)-2-chloroethanone, 4-benzyl-1-(chloroacetyl)piperidine, 1-Chloroacetyl-4-benzylpiperidine
Technical Specifications
| Molecular Formula | C14H18ClNO |
| Molecular Weight | 251.1077 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.1077 Da |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
| SMILES | C1CN(CCC1CC2=CC=CC=C2)C(=O)CCl |
| InChIKey | NESGURPSHDOKFU-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Benzylpiperidin-1-yl)-2-chloroethan-1-one
Property Insights of 1-(4-Benzylpiperidin-1-yl)-2-chloroethan-1-one
The XLogP value of 3.0 indicates that 1-(4-Benzylpiperidin-1-yl)-2-chloroethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(4-Benzylpiperidin-1-yl)-2-chloroethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Benzylpiperidin-1-yl)-2-chloroethan-1-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(4-Benzylpiperidin-1-yl)-2-chloroethan-1-one?
The CAS number of 1-(4-Benzylpiperidin-1-yl)-2-chloroethan-1-one is 158890-32-5.
What is the molecular formula of 1-(4-Benzylpiperidin-1-yl)-2-chloroethan-1-one?
The molecular formula of 1-(4-Benzylpiperidin-1-yl)-2-chloroethan-1-one is C14H18ClNO.
What is the molecular weight of 1-(4-Benzylpiperidin-1-yl)-2-chloroethan-1-one?
The molecular weight of 1-(4-Benzylpiperidin-1-yl)-2-chloroethan-1-one is 251.1077 g/mol.
Where can I buy 1-(4-Benzylpiperidin-1-yl)-2-chloroethan-1-one?
You can request a quote for 1-(4-Benzylpiperidin-1-yl)-2-chloroethan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Benzylpiperidin-1-yl)-2-chloroethan-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(4-Benzylpiperidin-1-yl)-2-chloroethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.