CID 26596455
PubChem CID
26596455
Structure
Molecular Formula
Status
Non-live
Molecular Weight
186.31 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propan-1-ol
InChI=1S/C11H23NO/c1-10-4-6-12(7-5-10)8-11(2,3)9-13/h10,13H,4-9H2,1-3H3/p+1
ROBBPTVIFADSPT-UHFFFAOYSA-O
CC1CC[NH+](CC1)CC(C)(C)CO
C11H24NO+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
186.31 g/mol
Property Name
XLogP3-AA
Property Value
2.1
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
186.185789389 g/mol
Property Name
Monoisotopic Mass
Property Value
186.185789389 g/mol
Property Name
Topological Polar Surface Area
Property Value
24.7 A^2
Property Name
Heavy Atom Count
Property Value
13
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
148
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS