1-(1-Oxobut-2-enyl)piperidine
TL;DR: 1-(1-Oxobut-2-enyl)piperidine (CAS 50838-22-7) is a chemical compound with molecular formula C9H15NO and molecular weight 153.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-piperidin-1-ylbut-2-en-1-one
Also Known As: Piperidine, 1-crotonoyl-, N-Crotonylpiperidine, 1-Crotonoylpiperidine, 1-(1-Oxobut-2-enyl)piperidine, crotonic acid piperidide
| Molecular Formula | C9H15NO |
|---|---|
| Molecular Weight | 153.12 g/mol |
| LogP | 1.575 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.11537 |
| Heavy Atoms | 11 |
| Complexity | 156.94566 |
Chemical Identifiers
| CAS Number | 50838-22-7 |
|---|---|
| SMILES | C/C=C/C(=O)N1CCCCC1 |
Product Overview
1-(1-Oxobut-2-enyl)piperidine (CAS 50838-22-7), with molecular formula C9H15NO and molecular weight 153.12 g/mol. IUPAC: (E)-1-piperidin-1-ylbut-2-en-1-one.
Chemical Property Profile of 1-(1-Oxobut-2-enyl)piperidine
Property Insights of 1-(1-Oxobut-2-enyl)piperidine
The XLogP value of 1.575 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Oxobut-2-enyl)piperidine. With a topological polar surface area (TPSA) of 20.31 Ų, 1-(1-Oxobut-2-enyl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Oxobut-2-enyl)piperidine 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 1-(1-Oxobut-2-enyl)piperidine?
The CAS number of 1-(1-Oxobut-2-enyl)piperidine is 50838-22-7.
What is the molecular formula of 1-(1-Oxobut-2-enyl)piperidine?
The molecular formula of 1-(1-Oxobut-2-enyl)piperidine is C9H15NO.
What is the molecular weight of 1-(1-Oxobut-2-enyl)piperidine?
The molecular weight of 1-(1-Oxobut-2-enyl)piperidine is 153.12 g/mol.
Where can I buy 1-(1-Oxobut-2-enyl)piperidine?
You can request a quote for 1-(1-Oxobut-2-enyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Oxobut-2-enyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Oxobut-2-enyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.