CID 28422744
PubChem CID
28422744
Structure
Molecular Formula
Status
Non-live
Molecular Weight
292.40 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
N-(3,4-dimethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetamide
InChI=1S/C16H25N3O2/c1-13-3-4-15(11-14(13)2)17-16(21)12-19-7-5-18(6-8-19)9-10-20/h3-4,11,20H,5-10,12H2,1-2H3,(H,17,21)/p+1
FCPLTEMCEZTYTQ-UHFFFAOYSA-O
CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CCO)C
C16H26N3O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
292.40 g/mol
Property Name
XLogP3
Property Value
1.3
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
292.20250208 g/mol
Property Name
Monoisotopic Mass
Property Value
292.20250208 g/mol
Property Name
Topological Polar Surface Area
Property Value
57 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
329
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