1,3'-Bipiperidin-4'-one, 1',3',6'-trimethyl-, dihydrochloride
TL;DR: 1,3'-Bipiperidin-4'-one, 1',3',6'-trimethyl-, dihydrochloride (CAS 596-99-6) is a chemical compound with molecular formula C13H26Cl2N2O and molecular weight 296.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,5-trimethyl-5-piperidin-1-ium-1-ylpiperidin-1-ium-4-one dichloride
Also Known As: 1',3',6'-Trimethyl-1',3'-bipiperidin-4'-one dihydrochloride, 1,3'-BIPIPERIDIN-4'-ONE, 1',3',6'-TRIMETHYL-, DIHYDROCHLORIDE, 1,2,5-trimethyl-5-piperidin-1-ium-1-ylpiperidin-1-ium-4-one dichloride, RefChem:216533
| Molecular Formula | C13H26Cl2N2O |
|---|---|
| Molecular Weight | 296.14 g/mol |
| LogP | -7.3 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.1422 |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 596-99-6 |
|---|---|
| SMILES | CC1CC(=O)C(C[NH+]1C)(C)[NH+]2CCCCC2.[Cl-].[Cl-] |
| InChIKey | ILZVIJGDEWKPFN-UHFFFAOYSA-N |
Product Overview
1,3'-Bipiperidin-4'-one, 1',3',6'-trimethyl-, dihydrochloride (CAS 596-99-6), with molecular formula C13H26Cl2N2O and molecular weight 296.14 g/mol. IUPAC: 1,2,5-trimethyl-5-piperidin-1-ium-1-ylpiperidin-1-ium-4-one dichloride.
Chemical Property Profile of 1,3'-Bipiperidin-4'-one, 1',3',6'-trimethyl-, dihydrochloride
Property Insights of 1,3'-Bipiperidin-4'-one, 1',3',6'-trimethyl-, dihydrochloride
The XLogP value of -7.3 indicates that 1,3'-Bipiperidin-4'-one, 1',3',6'-trimethyl-, dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.0 Ų, 1,3'-Bipiperidin-4'-one, 1',3',6'-trimethyl-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3'-Bipiperidin-4'-one, 1',3',6'-trimethyl-, dihydrochloride has 2 hydrogen bond donor(s) and 3 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 1,3'-Bipiperidin-4'-one, 1',3',6'-trimethyl-, dihydrochloride?
The CAS number of 1,3'-Bipiperidin-4'-one, 1',3',6'-trimethyl-, dihydrochloride is 596-99-6.
What is the molecular formula of 1,3'-Bipiperidin-4'-one, 1',3',6'-trimethyl-, dihydrochloride?
The molecular formula of 1,3'-Bipiperidin-4'-one, 1',3',6'-trimethyl-, dihydrochloride is C13H26Cl2N2O.
What is the molecular weight of 1,3'-Bipiperidin-4'-one, 1',3',6'-trimethyl-, dihydrochloride?
The molecular weight of 1,3'-Bipiperidin-4'-one, 1',3',6'-trimethyl-, dihydrochloride is 296.14 g/mol.
Where can I buy 1,3'-Bipiperidin-4'-one, 1',3',6'-trimethyl-, dihydrochloride?
You can request a quote for 1,3'-Bipiperidin-4'-one, 1',3',6'-trimethyl-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3'-Bipiperidin-4'-one, 1',3',6'-trimethyl-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3'-Bipiperidin-4'-one, 1',3',6'-trimethyl-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.