CID 39423004
PubChem CID
39423004
Structure
Molecular Formula
Status
Non-live
Molecular Weight
301.20 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
1-[2-(4-bromophenoxy)ethyl]piperidin-1-ium-4-ol
InChI=1S/C13H18BrNO2/c14-11-1-3-13(4-2-11)17-10-9-15-7-5-12(16)6-8-15/h1-4,12,16H,5-10H2/p+1
LALMMPCIXQUTAI-UHFFFAOYSA-O
C1C[NH+](CCC1O)CCOC2=CC=C(C=C2)Br
C13H19BrNO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
301.20 g/mol
Property Name
XLogP3-AA
Property Value
2.5
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
4
Property Name
Exact Mass
Property Value
300.05992 g/mol
Property Name
Monoisotopic Mass
Property Value
300.05992 g/mol
Property Name
Topological Polar Surface Area
Property Value
33.9 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
211
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
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
CONTENTS