CID 28446547
PubChem CID
28446547
Structure
Molecular Formula
Status
Non-live
Molecular Weight
316.23 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
N-(4-bromo-2-fluorophenyl)-1-propylpiperidin-1-ium-4-amine
InChI=1S/C14H20BrFN2/c1-2-7-18-8-5-12(6-9-18)17-14-4-3-11(15)10-13(14)16/h3-4,10,12,17H,2,5-9H2,1H3/p+1
KJUZUZKNHWUDAI-UHFFFAOYSA-O
CCC[NH+]1CCC(CC1)NC2=C(C=C(C=C2)Br)F
C14H21BrFN2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
316.23 g/mol
Property Name
XLogP3-AA
Property Value
4.2
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
4
Property Name
Exact Mass
Property Value
315.08721 g/mol
Property Name
Monoisotopic Mass
Property Value
315.08721 g/mol
Property Name
Topological Polar Surface Area
Property Value
16.5 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
244
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