Piperidine, 1-(cyanoacetyl)-2-ethyl-
TL;DR: Piperidine, 1-(cyanoacetyl)-2-ethyl- (CAS 549499-13-0) is a chemical compound with molecular formula C10H16N2O and molecular weight 180.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-ethylpiperidin-1-yl)-3-oxopropanenitrile
Also Known As: Piperidine,1- -2-ethyl-, PIPERIDINE, 1-(CYANOACETYL)-2-ETHYL-, 3-(2-ethyl-1-piperidyl)-3-oxo-propanenitrile, 3-(2-ethylpiperidin-1-yl)-3-oxopropanenitrile, Piperidine, 1-(cyanoacetyl)-2-ethyl- (9CI)
| Molecular Formula | C10H16N2O |
|---|---|
| Molecular Weight | 180.13 g/mol |
| LogP | 1.69118 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.12627 |
| Heavy Atoms | 13 |
| Complexity | 219.45486 |
Chemical Identifiers
| CAS Number | 549499-13-0 |
|---|---|
| SMILES | CCC1CCCCN1C(=O)CC#N |
Product Overview
Piperidine, 1-(cyanoacetyl)-2-ethyl- (CAS 549499-13-0), with molecular formula C10H16N2O and molecular weight 180.13 g/mol. IUPAC: 3-(2-ethylpiperidin-1-yl)-3-oxopropanenitrile.
Chemical Property Profile of Piperidine, 1-(cyanoacetyl)-2-ethyl-
Property Insights of Piperidine, 1-(cyanoacetyl)-2-ethyl-
The XLogP value of 1.69118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperidine, 1-(cyanoacetyl)-2-ethyl-. With a topological polar surface area (TPSA) of 44.1 Ų, Piperidine, 1-(cyanoacetyl)-2-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperidine, 1-(cyanoacetyl)-2-ethyl- has 0 hydrogen bond donor(s) and 2 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 Piperidine, 1-(cyanoacetyl)-2-ethyl-?
The CAS number of Piperidine, 1-(cyanoacetyl)-2-ethyl- is 549499-13-0.
What is the molecular formula of Piperidine, 1-(cyanoacetyl)-2-ethyl-?
The molecular formula of Piperidine, 1-(cyanoacetyl)-2-ethyl- is C10H16N2O.
What is the molecular weight of Piperidine, 1-(cyanoacetyl)-2-ethyl-?
The molecular weight of Piperidine, 1-(cyanoacetyl)-2-ethyl- is 180.13 g/mol.
Where can I buy Piperidine, 1-(cyanoacetyl)-2-ethyl-?
You can request a quote for Piperidine, 1-(cyanoacetyl)-2-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperidine, 1-(cyanoacetyl)-2-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for Piperidine, 1-(cyanoacetyl)-2-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.