![1-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]ethanone structure](/static/products/4159/415958-01-9.webp)
1-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]ethanone
TL;DR: 1-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]ethanone (CAS 415958-01-9) is a chemical compound with molecular formula C13H17FN2O and molecular weight 236.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanone
Also Known As: 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanone, AB00085374-01, 1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}ethan-1-one
| Molecular Formula | C13H17FN2O |
|---|---|
| Molecular Weight | 236.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.13249 |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 415958-01-9 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)CC2=CC=C(C=C2)F |
| InChIKey | NKBLOSZHNWYFAA-UHFFFAOYSA-N |
Product Overview
1-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]ethanone (CAS 415958-01-9), with molecular formula C13H17FN2O and molecular weight 236.13 g/mol. IUPAC: 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanone.
Chemical Property Profile of 1-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]ethanone
Property Insights of 1-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]ethanone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]ethanone. With a topological polar surface area (TPSA) of 23.6 Ų, 1-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]ethanone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]ethanone?
The CAS number of 1-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]ethanone is 415958-01-9.
What is the molecular formula of 1-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]ethanone?
The molecular formula of 1-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]ethanone is C13H17FN2O.
What is the molecular weight of 1-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]ethanone?
The molecular weight of 1-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]ethanone is 236.13 g/mol.
Where can I buy 1-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]ethanone?
You can request a quote for 1-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.