Piperidine, 1-(2-methyl-1-oxo-2-butenyl)-
TL;DR: Piperidine, 1-(2-methyl-1-oxo-2-butenyl)- (CAS 54533-29-8) is a chemical compound with molecular formula C10H17NO and molecular weight 167.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-piperidin-1-ylbut-2-en-1-one
Also Known As: 1-(2-Methyl-1-oxobut-2-enyl)piperidine, Piperidine, 1-(2-methyl-1-oxo-2-butenyl)-, 2-methyl-1-piperidin-1-ylbut-2-en-1-one, 1-(2-Methyl-1-oxo-2-butenyl)piperidine, 2-methyl-1-(piperidin-1-yl)but-2-en-1-one
| Molecular Formula | C10H17NO |
|---|---|
| Molecular Weight | 167.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.13101 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 54533-29-8 |
|---|---|
| SMILES | CC=C(C)C(=O)N1CCCCC1 |
| InChIKey | AASUNBIGKXSKNF-UHFFFAOYSA-N |
Product Overview
Piperidine, 1-(2-methyl-1-oxo-2-butenyl)- (CAS 54533-29-8), with molecular formula C10H17NO and molecular weight 167.13 g/mol. IUPAC: 2-methyl-1-piperidin-1-ylbut-2-en-1-one.
Chemical Property Profile of Piperidine, 1-(2-methyl-1-oxo-2-butenyl)-
Property Insights of Piperidine, 1-(2-methyl-1-oxo-2-butenyl)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperidine, 1-(2-methyl-1-oxo-2-butenyl)-. With a topological polar surface area (TPSA) of 20.3 Ų, Piperidine, 1-(2-methyl-1-oxo-2-butenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperidine, 1-(2-methyl-1-oxo-2-butenyl)- has 0 hydrogen bond donor(s) and 1 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-(2-methyl-1-oxo-2-butenyl)-?
The CAS number of Piperidine, 1-(2-methyl-1-oxo-2-butenyl)- is 54533-29-8.
What is the molecular formula of Piperidine, 1-(2-methyl-1-oxo-2-butenyl)-?
The molecular formula of Piperidine, 1-(2-methyl-1-oxo-2-butenyl)- is C10H17NO.
What is the molecular weight of Piperidine, 1-(2-methyl-1-oxo-2-butenyl)-?
The molecular weight of Piperidine, 1-(2-methyl-1-oxo-2-butenyl)- is 167.13 g/mol.
Where can I buy Piperidine, 1-(2-methyl-1-oxo-2-butenyl)-?
You can request a quote for Piperidine, 1-(2-methyl-1-oxo-2-butenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperidine, 1-(2-methyl-1-oxo-2-butenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Piperidine, 1-(2-methyl-1-oxo-2-butenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.