CID 26192413
PubChem CID
26192413
Structure
Molecular Formula
Status
Non-live
Molecular Weight
236.33 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(3R)-3-[2-(4-methoxyphenoxy)ethyl]piperidin-1-ium
InChI=1S/C14H21NO2/c1-16-13-4-6-14(7-5-13)17-10-8-12-3-2-9-15-11-12/h4-7,12,15H,2-3,8-11H2,1H3/p+1/t12-/m1/s1
VTLNTXWIDXQCCK-GFCCVEGCSA-O
COC1=CC=C(C=C1)OCC[C@H]2CCC[NH2+]C2
C14H22NO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
236.33 g/mol
Property Name
XLogP3-AA
Property Value
2.5
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
236.165053945 g/mol
Property Name
Monoisotopic Mass
Property Value
236.165053945 g/mol
Property Name
Topological Polar Surface Area
Property Value
35.1 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
202
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
CONTENTS