CID 30106240
PubChem CID
30106240
Structure
Molecular Formula
Status
Non-live
Molecular Weight
184.30 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(2S,5S)-1-tert-butyl-2,5-dimethylpiperidin-1-ium-4-one
InChI=1S/C11H21NO/c1-8-7-12(11(3,4)5)9(2)6-10(8)13/h8-9H,6-7H2,1-5H3/p+1/t8-,9-/m0/s1
XUNSWMLOUXQOJP-IUCAKERBSA-O
C[C@H]1CC(=O)[C@H](C[NH+]1C(C)(C)C)C
C11H22NO+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
184.30 g/mol
Property Name
XLogP3-AA
Property Value
1.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
184.170139325 g/mol
Property Name
Monoisotopic Mass
Property Value
184.170139325 g/mol
Property Name
Topological Polar Surface Area
Property Value
21.5 A^2
Property Name
Heavy Atom Count
Property Value
13
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
205
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
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
CONTENTS