CID 26192391
PubChem CID
26192391
Structure
Molecular Formula
Status
Non-live
Molecular Weight
206.30 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(3R)-3-(2-phenoxyethyl)piperidin-1-ium
InChI=1S/C13H19NO/c1-2-6-13(7-3-1)15-10-8-12-5-4-9-14-11-12/h1-3,6-7,12,14H,4-5,8-11H2/p+1/t12-/m1/s1
CRLFSQXWWCULSO-GFCCVEGCSA-O
C1C[C@@H](C[NH2+]C1)CCOC2=CC=CC=C2
C13H20NO+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
206.30 g/mol
Property Name
XLogP3-AA
Property Value
2.6
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
4
Property Name
Exact Mass
Property Value
206.154489261 g/mol
Property Name
Monoisotopic Mass
Property Value
206.154489261 g/mol
Property Name
Topological Polar Surface Area
Property Value
25.8 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
166
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