CID 41782185
PubChem CID
41782185
Structure
Molecular Formula
Status
Non-live
Molecular Weight
329.25 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(2R)-1-(2-bromophenoxy)-3-[(2R)-2-methylpiperidin-1-ium-1-yl]propan-2-ol
InChI=1S/C15H22BrNO2/c1-12-6-4-5-9-17(12)10-13(18)11-19-15-8-3-2-7-14(15)16/h2-3,7-8,12-13,18H,4-6,9-11H2,1H3/p+1/t12-,13-/m1/s1
NVTVIELDMOSXEN-CHWSQXEVSA-O
C[C@@H]1CCCC[NH+]1C[C@H](COC2=CC=CC=C2Br)O
C15H23BrNO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
329.25 g/mol
Property Name
XLogP3-AA
Property Value
3.3
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
328.09122 g/mol
Property Name
Monoisotopic Mass
Property Value
328.09122 g/mol
Property Name
Topological Polar Surface Area
Property Value
33.9 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
265
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
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