CID 40539638
PubChem CID
40539638
Structure
Molecular Formula
Status
Non-live
Molecular Weight
319.2 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(2R)-1-(2,4-dichlorophenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol
InChI=1S/C15H21Cl2NO2/c1-11-4-6-18(7-5-11)9-13(19)10-20-15-3-2-12(16)8-14(15)17/h2-3,8,11,13,19H,4-7,9-10H2,1H3/p+1/t13-/m1/s1
DUKBNTKUKOGNDE-CYBMUJFWSA-O
CC1CC[NH+](CC1)C[C@H](COC2=C(C=C(C=C2)Cl)Cl)O
C15H22Cl2NO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
319.2 g/mol
Property Name
XLogP3-AA
Property Value
3.9
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
318.1027593 g/mol
Property Name
Monoisotopic Mass
Property Value
318.1027593 g/mol
Property Name
Topological Polar Surface Area
Property Value
33.9 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
285
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