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CID 26722495

PubChem CID
26722495
Structure
CID 26722495_small.png
Molecular Formula
Status
Non-live
Molecular Weight
144.23 g/mol
Dates
  • Create:
    2009-05-28

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 26722495.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(3S)-1-ethylpiperidin-1-ium-3-yl]methanol

2.1.2 InChI

InChI=1S/C8H17NO/c1-2-9-5-3-4-8(6-9)7-10/h8,10H,2-7H2,1H3/p+1/t8-/m0/s1

2.1.3 InChIKey

UFFXQKBVALLYQW-QMMMGPOBSA-O

2.1.4 SMILES

CC[NH+]1CCC[C@@H](C1)CO

2.2 Molecular Formula

C8H18NO+

3 Chemical and Physical Properties

3.1 Computed Properties

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

5 Information Sources

CONTENTS