CID 26190662
PubChem CID
26190662
Structure
Molecular Formula
Status
Non-live
Molecular Weight
261.16 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(3R)-3-[(2,4-dichlorophenoxy)methyl]piperidin-1-ium
InChI=1S/C12H15Cl2NO/c13-10-3-4-12(11(14)6-10)16-8-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2/p+1/t9-/m1/s1
HVPULUXDBDKPDZ-SECBINFHSA-O
C1C[C@H](C[NH2+]C1)COC2=C(C=C(C=C2)Cl)Cl
C12H16Cl2NO+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
261.16 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
3
Property Name
Exact Mass
Property Value
260.0608945 g/mol
Property Name
Monoisotopic Mass
Property Value
260.0608945 g/mol
Property Name
Topological Polar Surface Area
Property Value
25.8 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
215
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