3-(1-Piperazinyl)propiophenone
TL;DR: 3-(1-Piperazinyl)propiophenone (CAS 84604-68-2) is a chemical compound with molecular formula C13H18N2O and molecular weight 218.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-piperazin-1-ylpropan-1-one
Also Known As: 3-(1-Piperazinyl)propiophenone, EINECS 283-350-9, 1-phenyl-3-piperazin-1-ylpropan-1-one, 1-PHENYL-3-(PIPERAZIN-1-YL)PROPAN-1-ONE, 1-(2-Benzoylethyl)piperazine
| Molecular Formula | C13H18N2O |
|---|---|
| Molecular Weight | 218.14 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.1419 |
| Heavy Atoms | 16 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 84604-68-2 |
|---|---|
| SMILES | C1CN(CCN1)CCC(=O)C2=CC=CC=C2 |
| InChIKey | GZXSVSMPRXVXNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1-Piperazinyl)propiophenone (CAS 84604-68-2), with molecular formula C13H18N2O and molecular weight 218.14 g/mol. IUPAC: 1-phenyl-3-piperazin-1-ylpropan-1-one.
Chemical Property Profile of 3-(1-Piperazinyl)propiophenone
Property Insights of 3-(1-Piperazinyl)propiophenone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Piperazinyl)propiophenone. With a topological polar surface area (TPSA) of 32.3 Ų, 3-(1-Piperazinyl)propiophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Piperazinyl)propiophenone 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 3-(1-Piperazinyl)propiophenone?
The CAS number of 3-(1-Piperazinyl)propiophenone is 84604-68-2.
What is the molecular formula of 3-(1-Piperazinyl)propiophenone?
The molecular formula of 3-(1-Piperazinyl)propiophenone is C13H18N2O.
What is the molecular weight of 3-(1-Piperazinyl)propiophenone?
The molecular weight of 3-(1-Piperazinyl)propiophenone is 218.14 g/mol.
Where can I buy 3-(1-Piperazinyl)propiophenone?
You can request a quote for 3-(1-Piperazinyl)propiophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Piperazinyl)propiophenone?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Piperazinyl)propiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.