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CID 51889585

PubChem CID
51889585
Structure
CID 51889585_small.png
Molecular Formula
Status
Non-live
Molecular Weight
193.29 g/mol
Dates
  • Create:
    2011-05-20

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 51889585.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl-(1-pyridin-1-ium-2-ylpiperidin-4-yl)azanium

2.1.2 InChI

InChI=1S/C11H17N3/c1-12-10-5-8-14(9-6-10)11-4-2-3-7-13-11/h2-4,7,10,12H,5-6,8-9H2,1H3/p+2

2.1.3 InChIKey

QHIXWPOEUOJBOF-UHFFFAOYSA-P

2.1.4 SMILES

C[NH2+]C1CCN(CC1)C2=CC=CC=[NH+]2

2.2 Molecular Formula

C11H19N3+2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
193.29 g/mol
Property Name
XLogP3-AA
Property Value
1.6
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
193.157897619 g/mol
Property Name
Monoisotopic Mass
Property Value
193.157897619 g/mol
Property Name
Topological Polar Surface Area
Property Value
34 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
2
Property Name
Complexity
Property Value
164
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

5 Information Sources

CONTENTS