1-(4-Fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one
TL;DR: 1-(4-Fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one (CAS 3109-12-4) is a chemical compound with molecular formula C21H24FNO2 and molecular weight 341.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one
Also Known As: Dechloro Haloperidol, Dechlorohaloperidol, Deschlorohaloperidol, 5-Methylnicotinamide, Haloperidol EP Impurity A
| Molecular Formula | C21H24FNO2 |
|---|---|
| Molecular Weight | 341.18 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.1791 |
| Heavy Atoms | 25 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 3109-12-4 |
|---|---|
| SMILES | C1CN(CCC1(C2=CC=CC=C2)O)CCCC(=O)C3=CC=C(C=C3)F |
| InChIKey | FEFFZKPQSVTBAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one (CAS 3109-12-4), with molecular formula C21H24FNO2 and molecular weight 341.18 g/mol. IUPAC: 1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one.
Chemical Property Profile of 1-(4-Fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one
Property Insights of 1-(4-Fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one. With a topological polar surface area (TPSA) of 40.5 Ų, 1-(4-Fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one has 1 hydrogen bond donor(s) and 4 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-Fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one?
The CAS number of 1-(4-Fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one is 3109-12-4.
What is the molecular formula of 1-(4-Fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one?
The molecular formula of 1-(4-Fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one is C21H24FNO2.
What is the molecular weight of 1-(4-Fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one?
The molecular weight of 1-(4-Fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one is 341.18 g/mol.
Where can I buy 1-(4-Fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one?
You can request a quote for 1-(4-Fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.