(4-Fluorophenyl)(piperazin-1-yl)methanone
TL;DR: (4-Fluorophenyl)(piperazin-1-yl)methanone (CAS 102391-98-0) is a chemical compound with molecular formula C11H13FN2O and molecular weight 208.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl)-piperazin-1-ylmethanone
Also Known As: 1-(4-fluorobenzoyl)piperazine, (4-fluorophenyl)(piperazin-1-yl)methanone, (4-Fluorophenyl)(1-piperazinyl)methanone, Methanone, (4-fluorophenyl)-1-piperazinyl-, (4-fluorophenyl)-piperazin-1-ylmethanone
| Molecular Formula | C11H13FN2O |
|---|---|
| Molecular Weight | 208.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.1012 |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 102391-98-0 |
|---|---|
| SMILES | C1CN(CCN1)C(=O)C2=CC=C(C=C2)F |
| InChIKey | OITKVXMAEXNRRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Fluorophenyl)(piperazin-1-yl)methanone (CAS 102391-98-0), with molecular formula C11H13FN2O and molecular weight 208.10 g/mol. IUPAC: (4-fluorophenyl)-piperazin-1-ylmethanone.
Chemical Property Profile of (4-Fluorophenyl)(piperazin-1-yl)methanone
Property Insights of (4-Fluorophenyl)(piperazin-1-yl)methanone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Fluorophenyl)(piperazin-1-yl)methanone. With a topological polar surface area (TPSA) of 32.3 Ų, (4-Fluorophenyl)(piperazin-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Fluorophenyl)(piperazin-1-yl)methanone has 1 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 (4-Fluorophenyl)(piperazin-1-yl)methanone?
The CAS number of (4-Fluorophenyl)(piperazin-1-yl)methanone is 102391-98-0.
What is the molecular formula of (4-Fluorophenyl)(piperazin-1-yl)methanone?
The molecular formula of (4-Fluorophenyl)(piperazin-1-yl)methanone is C11H13FN2O.
What is the molecular weight of (4-Fluorophenyl)(piperazin-1-yl)methanone?
The molecular weight of (4-Fluorophenyl)(piperazin-1-yl)methanone is 208.10 g/mol.
Where can I buy (4-Fluorophenyl)(piperazin-1-yl)methanone?
You can request a quote for (4-Fluorophenyl)(piperazin-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Fluorophenyl)(piperazin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Fluorophenyl)(piperazin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.