CID 28446159
PubChem CID
28446159
Structure
Molecular Formula
Status
Non-live
Molecular Weight
273.32 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
1-propan-2-yl-N-(2,3,4-trifluorophenyl)piperidin-1-ium-4-amine
InChI=1S/C14H19F3N2/c1-9(2)19-7-5-10(6-8-19)18-12-4-3-11(15)13(16)14(12)17/h3-4,9-10,18H,5-8H2,1-2H3/p+1
PATUDZQLTCMVDW-UHFFFAOYSA-O
CC(C)[NH+]1CCC(CC1)NC2=C(C(=C(C=C2)F)F)F
C14H20F3N2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
273.32 g/mol
Property Name
XLogP3-AA
Property Value
3.6
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
273.15785813 g/mol
Property Name
Monoisotopic Mass
Property Value
273.15785813 g/mol
Property Name
Topological Polar Surface Area
Property Value
16.5 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
280
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
CONTENTS