1-(1-Piperidinyl)-2-buten-1-one
TL;DR: 1-(1-Piperidinyl)-2-buten-1-one (CAS 3626-69-5) 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.
1-piperidin-1-ylbut-2-en-1-one
Also Known As: 3-Iodopropane-1,2-diol, 1-(1-Oxobut-2-enyl)piperidine, 1-(1-Piperidinyl)-2-buten-1-one, 1-(PIPERIDIN-1-YL)BUT-2-EN-1-ONE
| Molecular Formula | C9H15NO |
|---|---|
| Molecular Weight | 153.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.11537 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 3626-69-5 |
|---|---|
| SMILES | CC=CC(=O)N1CCCCC1 |
| InChIKey | DEHSTVNSEJEWPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1-Piperidinyl)-2-buten-1-one (CAS 3626-69-5), with molecular formula C9H15NO and molecular weight 153.12 g/mol. IUPAC: 1-piperidin-1-ylbut-2-en-1-one.
Chemical Property Profile of 1-(1-Piperidinyl)-2-buten-1-one
Property Insights of 1-(1-Piperidinyl)-2-buten-1-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Piperidinyl)-2-buten-1-one. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(1-Piperidinyl)-2-buten-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Piperidinyl)-2-buten-1-one 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-Piperidinyl)-2-buten-1-one?
The CAS number of 1-(1-Piperidinyl)-2-buten-1-one is 3626-69-5.
What is the molecular formula of 1-(1-Piperidinyl)-2-buten-1-one?
The molecular formula of 1-(1-Piperidinyl)-2-buten-1-one is C9H15NO.
What is the molecular weight of 1-(1-Piperidinyl)-2-buten-1-one?
The molecular weight of 1-(1-Piperidinyl)-2-buten-1-one is 153.12 g/mol.
Where can I buy 1-(1-Piperidinyl)-2-buten-1-one?
You can request a quote for 1-(1-Piperidinyl)-2-buten-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Piperidinyl)-2-buten-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Piperidinyl)-2-buten-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.