CID 40427897
PubChem CID
40427897
Structure
Molecular Formula
Status
Non-live
Molecular Weight
194.27 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
4-[(3-fluorophenyl)methyl]piperidin-1-ium
InChI=1S/C12H16FN/c13-12-3-1-2-11(9-12)8-10-4-6-14-7-5-10/h1-3,9-10,14H,4-8H2/p+1
ZXAPMANOWGBURM-UHFFFAOYSA-O
C1C[NH2+]CCC1CC2=CC(=CC=C2)F
C12H17FN+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
194.27 g/mol
Property Name
XLogP3-AA
Property Value
2.6
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
194.134502709 g/mol
Property Name
Monoisotopic Mass
Property Value
194.134502709 g/mol
Property Name
Topological Polar Surface Area
Property Value
16.6 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
166
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
Old substance
Old substance
Old substance
CONTENTS