CID 39380409
PubChem CID
39380409
Structure
Molecular Formula
Status
Non-live
Molecular Weight
281.37 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]piperazin-4-ium
InChI=1S/C15H24N2O3/c1-18-9-10-20-15-11-13(3-4-14(15)19-2)12-17-7-5-16-6-8-17/h3-4,11,16H,5-10,12H2,1-2H3/p+1
FEERNBPUAGVXKM-UHFFFAOYSA-O
COCCOC1=C(C=CC(=C1)CN2CC[NH2+]CC2)OC
C15H25N2O3+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
281.37 g/mol
Property Name
XLogP3-AA
Property Value
0.9
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
281.18651766 g/mol
Property Name
Monoisotopic Mass
Property Value
281.18651766 g/mol
Property Name
Topological Polar Surface Area
Property Value
47.5 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
260
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