Piperazine, 1-(3-pyridinylmethyl)-, monoacetate
TL;DR: Piperazine, 1-(3-pyridinylmethyl)-, monoacetate (CAS 76851-53-1) is a chemical compound with molecular formula C12H19N3O2 and molecular weight 237.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;1-(pyridin-3-ylmethyl)piperazine
Also Known As: Piperazine, 1-(3-pyridinylmethyl)-, monoacetate, acetic acid,1-(pyridin-3-ylmethyl)piperazine, acetic acid; 1-(pyridin-3-ylmethyl)piperazine, Acetic acid--1-[(pyridin-3-yl)methyl]piperazine (1/1)
| Molecular Formula | C12H19N3O2 |
|---|---|
| Molecular Weight | 237.15 g/mol |
| LogP | 0.5777 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.14772 |
| Heavy Atoms | 17 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 76851-53-1 |
|---|---|
| SMILES | CC(=O)O.C1CN(CCN1)CC2=CN=CC=C2 |
| InChIKey | ZMWYLSCEVNIRNC-UHFFFAOYSA-N |
Product Overview
Piperazine, 1-(3-pyridinylmethyl)-, monoacetate (CAS 76851-53-1), with molecular formula C12H19N3O2 and molecular weight 237.15 g/mol. IUPAC: acetic acid;1-(pyridin-3-ylmethyl)piperazine.
Chemical Property Profile of Piperazine, 1-(3-pyridinylmethyl)-, monoacetate
Property Insights of Piperazine, 1-(3-pyridinylmethyl)-, monoacetate
The XLogP value of 0.5777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-(3-pyridinylmethyl)-, monoacetate. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-(3-pyridinylmethyl)-, monoacetate. Following Lipinski's Rule of Five, Piperazine, 1-(3-pyridinylmethyl)-, monoacetate has 2 hydrogen bond donor(s) and 5 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 Piperazine, 1-(3-pyridinylmethyl)-, monoacetate?
The CAS number of Piperazine, 1-(3-pyridinylmethyl)-, monoacetate is 76851-53-1.
What is the molecular formula of Piperazine, 1-(3-pyridinylmethyl)-, monoacetate?
The molecular formula of Piperazine, 1-(3-pyridinylmethyl)-, monoacetate is C12H19N3O2.
What is the molecular weight of Piperazine, 1-(3-pyridinylmethyl)-, monoacetate?
The molecular weight of Piperazine, 1-(3-pyridinylmethyl)-, monoacetate is 237.15 g/mol.
Where can I buy Piperazine, 1-(3-pyridinylmethyl)-, monoacetate?
You can request a quote for Piperazine, 1-(3-pyridinylmethyl)-, monoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazine, 1-(3-pyridinylmethyl)-, monoacetate?
Yes, KEHONG BIO provides custom synthesis services for Piperazine, 1-(3-pyridinylmethyl)-, monoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.