1,4,4-Trimethylpiperidine
TL;DR: 1,4,4-Trimethylpiperidine (CAS 1003-84-5) is a chemical compound with molecular formula CC1(CCN(CC1)C)C and molecular weight 127.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,4-trimethylpiperidine
Also Known As: 1,4,4-Trimethylpiperidine, N,4,4-Trimethylpiperidin, 1,4,4-Trimethyl-piperidine
| Molecular Formula | CC1(CCN(CC1)C)C |
|---|---|
| Molecular Weight | 127.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.1361 |
| Heavy Atoms | 9 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 1003-84-5 |
|---|---|
| SMILES | CC1(CCN(CC1)C)C |
| InChIKey | CWHCTKAJYQOXMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4,4-Trimethylpiperidine (CAS 1003-84-5), with molecular formula CC1(CCN(CC1)C)C and molecular weight 127.14 g/mol. IUPAC: 1,4,4-trimethylpiperidine.
Chemical Property Profile of 1,4,4-Trimethylpiperidine
Property Insights of 1,4,4-Trimethylpiperidine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,4-Trimethylpiperidine. With a topological polar surface area (TPSA) of 3.2 Ų, 1,4,4-Trimethylpiperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,4-Trimethylpiperidine 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 1,4,4-Trimethylpiperidine?
The CAS number of 1,4,4-Trimethylpiperidine is 1003-84-5.
What is the molecular formula of 1,4,4-Trimethylpiperidine?
The molecular formula of 1,4,4-Trimethylpiperidine is CC1(CCN(CC1)C)C.
What is the molecular weight of 1,4,4-Trimethylpiperidine?
The molecular weight of 1,4,4-Trimethylpiperidine is 127.14 g/mol.
Where can I buy 1,4,4-Trimethylpiperidine?
You can request a quote for 1,4,4-Trimethylpiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,4-Trimethylpiperidine?
Yes, KEHONG BIO provides custom synthesis services for 1,4,4-Trimethylpiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.