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CID 26596455

PubChem CID
26596455
Structure
CID 26596455_small.png
Molecular Formula
Status
Non-live
Molecular Weight
186.31 g/mol
Dates
  • Create:
    2009-05-28

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 26596455.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propan-1-ol

2.1.2 InChI

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

2.1.3 InChIKey

ROBBPTVIFADSPT-UHFFFAOYSA-O

2.1.4 SMILES

CC1CC[NH+](CC1)CC(C)(C)CO

2.2 Molecular Formula

C11H24NO+

3 Chemical and Physical Properties

3.1 Computed Properties

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

5 Information Sources

CONTENTS