3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile
TL;DR: 3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile (CAS 15029-34-2) is a chemical compound with molecular formula C8H13N3O and molecular weight 167.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile
Also Known As: 3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile, 3-(4-Methyl-piperazin-1-yl)-3-oxo-propionitrile, 1-Cyanacetyl-4-methyl-piperazin, 1-(Cyanoacetyl)-4-methyl-piperazine, 4651AD
| Molecular Formula | C8H13N3O |
|---|---|
| Molecular Weight | 167.11 g/mol |
| LogP | -0.32592 |
| Topological Polar Surface Area | 47.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.10587 |
| Heavy Atoms | 12 |
| Complexity | 200.83873 |
Chemical Identifiers
| CAS Number | 15029-34-2 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)CC#N |
Product Overview
3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile (CAS 15029-34-2), with molecular formula C8H13N3O and molecular weight 167.11 g/mol. IUPAC: 3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile.
Chemical Property Profile of 3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile
Property Insights of 3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile
The XLogP value of -0.32592 indicates that 3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.34 Ų, 3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile 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-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile?
The CAS number of 3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile is 15029-34-2.
What is the molecular formula of 3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile?
The molecular formula of 3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile is C8H13N3O.
What is the molecular weight of 3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile?
The molecular weight of 3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile is 167.11 g/mol.
Where can I buy 3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile?
You can request a quote for 3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.