CID 26722495
PubChem CID
26722495
Structure
Molecular Formula
Status
Non-live
Molecular Weight
144.23 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[(3S)-1-ethylpiperidin-1-ium-3-yl]methanol
InChI=1S/C8H17NO/c1-2-9-5-3-4-8(6-9)7-10/h8,10H,2-7H2,1H3/p+1/t8-/m0/s1
UFFXQKBVALLYQW-QMMMGPOBSA-O
CC[NH+]1CCC[C@@H](C1)CO
C8H18NO+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
144.23 g/mol
Property Name
XLogP3-AA
Property Value
0.7
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
144.138839198 g/mol
Property Name
Monoisotopic Mass
Property Value
144.138839198 g/mol
Property Name
Topological Polar Surface Area
Property Value
24.7 A^2
Property Name
Heavy Atom Count
Property Value
10
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
95.3
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
Old substance
CONTENTS