CID 26392693
PubChem CID
26392693
Structure
Molecular Formula
Status
Non-live
Molecular Weight
306.5 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
cyclobutyl-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-methylazanium
InChI=1S/C19H29FN2/c1-21(19-5-2-6-19)14-17-4-3-12-22(15-17)13-11-16-7-9-18(20)10-8-16/h7-10,17,19H,2-6,11-15H2,1H3/p+2/t17-/m0/s1
KVTXUAPVDOLSBM-KRWDZBQOSA-P
C[NH+](C[C@@H]1CCC[NH+](C1)CCC2=CC=C(C=C2)F)C3CCC3
C19H31FN2+2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
306.5 g/mol
Property Name
XLogP3-AA
Property Value
4
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
306.24712716 g/mol
Property Name
Monoisotopic Mass
Property Value
306.24712716 g/mol
Property Name
Topological Polar Surface Area
Property Value
8.9 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
2
Property Name
Complexity
Property Value
323
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
CONTENTS