CID 28749802
PubChem CID
28749802
Structure
Molecular Formula
Status
Non-live
Molecular Weight
234.36 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(2S)-2-[2-(3-ethylphenoxy)ethyl]piperidin-1-ium
InChI=1S/C15H23NO/c1-2-13-6-5-8-15(12-13)17-11-9-14-7-3-4-10-16-14/h5-6,8,12,14,16H,2-4,7,9-11H2,1H3/p+1/t14-/m0/s1
AZKYHQIRHZQMCQ-AWEZNQCLSA-O
CCC1=CC(=CC=C1)OCC[C@@H]2CCCC[NH2+]2
C15H24NO+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
234.36 g/mol
Property Name
XLogP3-AA
Property Value
3.5
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
5
Property Name
Exact Mass
Property Value
234.185789389 g/mol
Property Name
Monoisotopic Mass
Property Value
234.185789389 g/mol
Property Name
Topological Polar Surface Area
Property Value
25.8 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
207
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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