CID 51584122
PubChem CID
51584122
Structure
Molecular Formula
Status
Non-live
Molecular Weight
144.23 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
2-[(3R)-piperidin-1-ium-3-yl]propan-2-ol
InChI=1S/C8H17NO/c1-8(2,10)7-4-3-5-9-6-7/h7,9-10H,3-6H2,1-2H3/p+1/t7-/m1/s1
GWVNRACDDXBNBZ-SSDOTTSWSA-O
CC(C)([C@@H]1CCC[NH2+]C1)O
C8H18NO+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
144.23 g/mol
Property Name
XLogP3-AA
Property Value
0.5
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
1
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
36.8 A^2
Property Name
Heavy Atom Count
Property Value
10
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
112
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