CID 28063418
PubChem CID
28063418
Structure
Molecular Formula
Status
Non-live
Molecular Weight
142.22 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
1-[(3R)-piperidin-1-ium-3-yl]propan-1-one
InChI=1S/C8H15NO/c1-2-8(10)7-4-3-5-9-6-7/h7,9H,2-6H2,1H3/p+1/t7-/m1/s1
LLMKXWOGGBBSTI-SSDOTTSWSA-O
CCC(=O)[C@@H]1CCC[NH2+]C1
C8H16NO+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
142.22 g/mol
Property Name
XLogP3-AA
Property Value
0.4
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
2
Property Name
Exact Mass
Property Value
142.123189134 g/mol
Property Name
Monoisotopic Mass
Property Value
142.123189134 g/mol
Property Name
Topological Polar Surface Area
Property Value
33.7 A^2
Property Name
Heavy Atom Count
Property Value
10
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
122
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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