CID 28118247
PubChem CID
28118247
Structure
Molecular Formula
Status
Non-live
Molecular Weight
233.33 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]azanium
InChI=1S/C14H20N2O/c1-11-4-2-3-5-12(11)10-14(17)16-8-6-13(15)7-9-16/h2-5,13H,6-10,15H2,1H3/p+1
JOVVQZXIUYNXHW-UHFFFAOYSA-O
CC1=CC=CC=C1CC(=O)N2CCC(CC2)[NH3+]
C14H21N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
233.33 g/mol
Property Name
XLogP3
Property Value
1.5
Property Name
Hydrogen Bond Donor Count
Property Value
1
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
48 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
259
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