CID 51632691
PubChem CID
51632691
Structure
Molecular Formula
Status
Non-live
Molecular Weight
248.34 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
N-(3,4-dimethylphenyl)-2-piperazin-4-ium-1-ylacetamide
InChI=1S/C14H21N3O/c1-11-3-4-13(9-12(11)2)16-14(18)10-17-7-5-15-6-8-17/h3-4,9,15H,5-8,10H2,1-2H3,(H,16,18)/p+1
CQPLOGSDGJLCPY-UHFFFAOYSA-O
CC1=C(C=C(C=C1)NC(=O)CN2CC[NH2+]CC2)C
C14H22N3O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
248.34 g/mol
Property Name
XLogP3
Property Value
1.5
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
3
Property Name
Exact Mass
Property Value
248.176287334 g/mol
Property Name
Monoisotopic Mass
Property Value
248.176287334 g/mol
Property Name
Topological Polar Surface Area
Property Value
49 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
276
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
CONTENTS