Home
News
Search
Basic
Structure
Physicochemical properties
Topological properties
Services
Virtual Screening
Docking
Chemoinformatics
Training
Help
Data Description
Version History
FAQ
Your Comments
Data Submission
Statistics
Compound: 5546
Plants: 312
References: 992
Visitors: 36
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Piperidine-2,6-dimethyl
ScientificNameLabel
Piperidine-2,6-dimethyl
PHCD compound ID :
1359
Chemical Names :
Piperidine-2,6-dimethyl
Molecular Formula :
C7H15N1
Molecular Weight :
113.120449
More Details :
Names & Synonyms:
2,6-dimethylpiperidine , 2,6-lupetidine
Smiles:
C[C@@H]1CCC[C@@H](N1)C
InChi :
InChI=1S/C7H15N/c1-6-4-3-5-7(2)8-6/h6-8H,3-5H2,1-2H3/t6-,7+
InChi Key :
InChIKey=SDGKUVSVPIIUCF-KNVOCYPGSA-N
PubChem ID :
68843
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
8.834133
Hydrogen bond donor count :
1
Electric dipole moment :
1.597
XLogP :
1.608
VDW volume :
128.268653
Molecular weight :
113.120449
HOMO-LUMO gap :
12.162000
Herb list :
Rice - Oryza sativa - برنج
Refrences & Litretures:
145. Journal:'Journal of Essential Oil Bearing Plants' Year:'2012' Volume:'15' Page:'645' DOI:'10.1080/0972060X.2012.10644099' Title:'The Frist Research on The Essential Oil of Iranian Rice (Oryza sativa L.)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us