CID 51669892
PubChem CID
51669892
Structure
Molecular Formula
Status
Non-live
Molecular Weight
158.26 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(2S)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]propan-1-ol
InChI=1S/C9H19NO/c1-8-5-3-4-6-10(8)9(2)7-11/h8-9,11H,3-7H2,1-2H3/p+1/t8-,9+/m1/s1
UCTLHKSQISSPFT-BDAKNGLRSA-O
C[C@@H]1CCCC[NH+]1[C@@H](C)CO
C9H20NO+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
158.26 g/mol
Property Name
XLogP3-AA
Property Value
1.3
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
158.154489261 g/mol
Property Name
Monoisotopic Mass
Property Value
158.154489261 g/mol
Property Name
Topological Polar Surface Area
Property Value
24.7 A^2
Property Name
Heavy Atom Count
Property Value
11
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
116
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