hexocyclium

Ligand id: 323

Name: hexocyclium

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 23.47
Molecular weight 317.26
XLogP 4.19
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol
International Nonproprietary Names
INN number INN
672 hexocyclium metilsulfate
Database Links
CAS Registry No. 6004-98-4
ChEMBL Ligand CHEMBL1201325
PubChem CID 24199
Search Google for chemical match using the InChIKey ZRYHPQCHHOKSMD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZRYHPQCHHOKSMD
Search PubMed clinical trials hexocyclium metilsulfate
Search PubMed titles hexocyclium metilsulfate
Search PubMed titles/abstracts hexocyclium metilsulfate
Search UniChem for chemical match using the InChIKey ZRYHPQCHHOKSMD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZRYHPQCHHOKSMD
Wikipedia Hexocyclium
Comments
The PubChem record for hexocyclium metilsulfate is CID 101587.