Ethyl 1-pyrimidin-2-yl-piperidine-4-carboxylate
TL;DR: Ethyl 1-pyrimidin-2-yl-piperidine-4-carboxylate (CAS 111247-60-0) is a chemical compound with molecular formula C12H17N3O2 and molecular weight 235.13208 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate
Also Known As: Ethyl 1-pyrimidin-2-yl-piperidine-4-carboxylate, ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate, 1-Pyrimidin-2-yl-piperidine-4-carboxylic acid ethyl ester, ethyl 1-(pyrimidin-2-yl)piperidine-4-carboxylate, 4CH-014621
Technical Specifications
| Molecular Formula | C12H17N3O2 |
| Molecular Weight | 235.13208 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 55.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.13208 Da |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
| SMILES | CCOC(=O)C1CCN(CC1)C2=NC=CC=N2 |
| InChIKey | QMAXUUVHHTYNHC-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 1-pyrimidin-2-yl-piperidine-4-carboxylate
Property Insights of Ethyl 1-pyrimidin-2-yl-piperidine-4-carboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-pyrimidin-2-yl-piperidine-4-carboxylate. With a topological polar surface area (TPSA) of 55.3 Ų, Ethyl 1-pyrimidin-2-yl-piperidine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-pyrimidin-2-yl-piperidine-4-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 1-pyrimidin-2-yl-piperidine-4-carboxylate?
The CAS number of Ethyl 1-pyrimidin-2-yl-piperidine-4-carboxylate is 111247-60-0.
What is the molecular formula of Ethyl 1-pyrimidin-2-yl-piperidine-4-carboxylate?
The molecular formula of Ethyl 1-pyrimidin-2-yl-piperidine-4-carboxylate is C12H17N3O2.
What is the molecular weight of Ethyl 1-pyrimidin-2-yl-piperidine-4-carboxylate?
The molecular weight of Ethyl 1-pyrimidin-2-yl-piperidine-4-carboxylate is 235.13208 g/mol.
Where can I buy Ethyl 1-pyrimidin-2-yl-piperidine-4-carboxylate?
You can request a quote for Ethyl 1-pyrimidin-2-yl-piperidine-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 1-pyrimidin-2-yl-piperidine-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 1-pyrimidin-2-yl-piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.