Diethyl (1-piperidinylmethyl)phosphonate
TL;DR: Diethyl (1-piperidinylmethyl)phosphonate (CAS 4972-40-1) is a chemical compound with molecular formula C10H22NO3P and molecular weight 235.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diethoxyphosphorylmethyl)piperidine
Also Known As: 1-(diethoxyphosphorylmethyl)piperidine, diethyl (1-piperidinylmethyl)phosphonate, DIETHYL PIPERIDIN-1-YLMETHYLPHOSPHONATE, Diethyl [(piperidin-1-yl)methyl]phosphonate, piperidinomethyl-phosphonic acid diethyl ester
| Molecular Formula | C10H22NO3P |
|---|---|
| Molecular Weight | 235.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 235.13373 |
| Heavy Atoms | 15 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 4972-40-1 |
|---|---|
| SMILES | CCOP(=O)(CN1CCCCC1)OCC |
| InChIKey | QUZRMJFKXDYSMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl (1-piperidinylmethyl)phosphonate (CAS 4972-40-1), with molecular formula C10H22NO3P and molecular weight 235.13 g/mol. IUPAC: 1-(diethoxyphosphorylmethyl)piperidine.
Chemical Property Profile of Diethyl (1-piperidinylmethyl)phosphonate
Property Insights of Diethyl (1-piperidinylmethyl)phosphonate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (1-piperidinylmethyl)phosphonate. With a topological polar surface area (TPSA) of 38.8 Ų, Diethyl (1-piperidinylmethyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (1-piperidinylmethyl)phosphonate has 0 hydrogen bond donor(s) and 4 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 Diethyl (1-piperidinylmethyl)phosphonate?
The CAS number of Diethyl (1-piperidinylmethyl)phosphonate is 4972-40-1.
What is the molecular formula of Diethyl (1-piperidinylmethyl)phosphonate?
The molecular formula of Diethyl (1-piperidinylmethyl)phosphonate is C10H22NO3P.
What is the molecular weight of Diethyl (1-piperidinylmethyl)phosphonate?
The molecular weight of Diethyl (1-piperidinylmethyl)phosphonate is 235.13 g/mol.
Where can I buy Diethyl (1-piperidinylmethyl)phosphonate?
You can request a quote for Diethyl (1-piperidinylmethyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (1-piperidinylmethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (1-piperidinylmethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.