3-Methyl-1-(4-pyridin-3-ylmethyl-piperazin-1-yl)-butan-1-one
TL;DR: 3-Methyl-1-(4-pyridin-3-ylmethyl-piperazin-1-yl)-butan-1-one (CAS 5931-84-0) is a chemical compound with molecular formula C15H23N3O and molecular weight 261.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butan-1-one
Also Known As: BAS 01234428, 3-Methyl-1-(4-pyridin-3-ylmethyl-piperazin-1-yl)-butan-1-one, BIM-0037888.P001, 1-(3-methylbutanoyl)-4-(3-pyridinylmethyl)piperazine, 3-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butan-1-one
| Molecular Formula | C15H23N3O |
|---|---|
| Molecular Weight | 261.18 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 36.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.1841 |
| Heavy Atoms | 19 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 5931-84-0 |
|---|---|
| SMILES | CC(C)CC(=O)N1CCN(CC1)CC2=CN=CC=C2 |
| InChIKey | QNFFCBLGIKTDFI-UHFFFAOYSA-N |
Product Overview
3-Methyl-1-(4-pyridin-3-ylmethyl-piperazin-1-yl)-butan-1-one (CAS 5931-84-0), with molecular formula C15H23N3O and molecular weight 261.18 g/mol. IUPAC: 3-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butan-1-one.
Chemical Property Profile of 3-Methyl-1-(4-pyridin-3-ylmethyl-piperazin-1-yl)-butan-1-one
Property Insights of 3-Methyl-1-(4-pyridin-3-ylmethyl-piperazin-1-yl)-butan-1-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-(4-pyridin-3-ylmethyl-piperazin-1-yl)-butan-1-one. With a topological polar surface area (TPSA) of 36.4 Ų, 3-Methyl-1-(4-pyridin-3-ylmethyl-piperazin-1-yl)-butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1-(4-pyridin-3-ylmethyl-piperazin-1-yl)-butan-1-one 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 3-Methyl-1-(4-pyridin-3-ylmethyl-piperazin-1-yl)-butan-1-one?
The CAS number of 3-Methyl-1-(4-pyridin-3-ylmethyl-piperazin-1-yl)-butan-1-one is 5931-84-0.
What is the molecular formula of 3-Methyl-1-(4-pyridin-3-ylmethyl-piperazin-1-yl)-butan-1-one?
The molecular formula of 3-Methyl-1-(4-pyridin-3-ylmethyl-piperazin-1-yl)-butan-1-one is C15H23N3O.
What is the molecular weight of 3-Methyl-1-(4-pyridin-3-ylmethyl-piperazin-1-yl)-butan-1-one?
The molecular weight of 3-Methyl-1-(4-pyridin-3-ylmethyl-piperazin-1-yl)-butan-1-one is 261.18 g/mol.
Where can I buy 3-Methyl-1-(4-pyridin-3-ylmethyl-piperazin-1-yl)-butan-1-one?
You can request a quote for 3-Methyl-1-(4-pyridin-3-ylmethyl-piperazin-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 3-Methyl-1-(4-pyridin-3-ylmethyl-piperazin-1-yl)-butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-(4-pyridin-3-ylmethyl-piperazin-1-yl)-butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.