CID 51895301
PubChem CID
51895301
Structure
Molecular Formula
Status
Non-live
Molecular Weight
245.34 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
ethyl N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]carbamate
InChI=1S/C12H24N2O3/c1-3-17-12(15)13-10-11-4-6-14(7-5-11)8-9-16-2/h11H,3-10H2,1-2H3,(H,13,15)/p+1
BRQMVWWEQUOWOE-UHFFFAOYSA-O
CCOC(=O)NCC1CC[NH+](CC1)CCOC
C12H25N2O3+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
245.34 g/mol
Property Name
XLogP3-AA
Property Value
0.9
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
245.18651766 g/mol
Property Name
Monoisotopic Mass
Property Value
245.18651766 g/mol
Property Name
Topological Polar Surface Area
Property Value
52 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
216
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
Old substance
CONTENTS