CID 28183395
PubChem CID
28183395
Structure
Molecular Formula
Status
Non-live
Molecular Weight
251.32 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(3R,6R)-N-(4-fluoro-2-methylphenyl)-6-methylpiperidin-1-ium-3-carboxamide
InChI=1S/C14H19FN2O/c1-9-7-12(15)5-6-13(9)17-14(18)11-4-3-10(2)16-8-11/h5-7,10-11,16H,3-4,8H2,1-2H3,(H,17,18)/p+1/t10-,11-/m1/s1
JGOFOSVBHSSDLZ-GHMZBOCLSA-O
C[C@@H]1CC[C@H](C[NH2+]1)C(=O)NC2=C(C=C(C=C2)F)C
C14H20FN2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
251.32 g/mol
Property Name
XLogP3-AA
Property Value
2
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
251.15596643 g/mol
Property Name
Monoisotopic Mass
Property Value
251.15596643 g/mol
Property Name
Topological Polar Surface Area
Property Value
45.7 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
298
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