CID 26192329
PubChem CID
26192329
Structure
Molecular Formula
Status
Non-live
Molecular Weight
236.33 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(2R)-2-[2-(3-methoxyphenoxy)ethyl]piperidin-1-ium
InChI=1S/C14H21NO2/c1-16-13-6-4-7-14(11-13)17-10-8-12-5-2-3-9-15-12/h4,6-7,11-12,15H,2-3,5,8-10H2,1H3/p+1/t12-/m1/s1
SDIKBKRUKSBVHG-GFCCVEGCSA-O
COC1=CC(=CC=C1)OCC[C@H]2CCCC[NH2+]2
C14H22NO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
236.33 g/mol
Property Name
XLogP3-AA
Property Value
2.7
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
210
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
Old substance
CONTENTS