CID 28180291
PubChem CID
28180291
Structure
Molecular Formula
Status
Non-live
Molecular Weight
233.33 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(3S,6R)-6-methyl-N-(2-methylphenyl)piperidin-1-ium-3-carboxamide
InChI=1S/C14H20N2O/c1-10-5-3-4-6-13(10)16-14(17)12-8-7-11(2)15-9-12/h3-6,11-12,15H,7-9H2,1-2H3,(H,16,17)/p+1/t11-,12+/m1/s1
PPLMSTITAAIYEB-NEPJUHHUSA-O
C[C@@H]1CC[C@@H](C[NH2+]1)C(=O)NC2=CC=CC=C2C
C14H21N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
233.33 g/mol
Property Name
XLogP3-AA
Property Value
1.9
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
2
Property Name
Exact Mass
Property Value
233.165388298 g/mol
Property Name
Monoisotopic Mass
Property Value
233.165388298 g/mol
Property Name
Topological Polar Surface Area
Property Value
45.7 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
267
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
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