1-tert-Butyl-4-piperidone
TL;DR: 1-tert-Butyl-4-piperidone (CAS 1465-76-5) is a chemical compound with molecular formula C9H17NO and molecular weight 155.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butylpiperidin-4-one
Also Known As: 1-tert-butylpiperidin-4-one, 1-(tert-Butyl)piperidin-4-one, 1-tert-Butyl-piperidin-4-one, 1-tert-Butyl-4-piperidone, 1-tert-Butyl-4-piperidinone
| Molecular Formula | C9H17NO |
|---|---|
| Molecular Weight | 155.13 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.13101 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 1465-76-5 |
|---|---|
| SMILES | CC(C)(C)N1CCC(=O)CC1 |
| InChIKey | NKPMJJGLSFUOPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-tert-Butyl-4-piperidone (CAS 1465-76-5), with molecular formula C9H17NO and molecular weight 155.13 g/mol. IUPAC: 1-tert-butylpiperidin-4-one.
Chemical Property Profile of 1-tert-Butyl-4-piperidone
Property Insights of 1-tert-Butyl-4-piperidone
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-tert-Butyl-4-piperidone. With a topological polar surface area (TPSA) of 20.3 Ų, 1-tert-Butyl-4-piperidone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-Butyl-4-piperidone 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 1-tert-Butyl-4-piperidone?
The CAS number of 1-tert-Butyl-4-piperidone is 1465-76-5.
What is the molecular formula of 1-tert-Butyl-4-piperidone?
The molecular formula of 1-tert-Butyl-4-piperidone is C9H17NO.
What is the molecular weight of 1-tert-Butyl-4-piperidone?
The molecular weight of 1-tert-Butyl-4-piperidone is 155.13 g/mol.
Where can I buy 1-tert-Butyl-4-piperidone?
You can request a quote for 1-tert-Butyl-4-piperidone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-Butyl-4-piperidone?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butyl-4-piperidone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.