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CID 40477988

PubChem CID
40477988
Structure
CID 40477988_small.png
Molecular Formula
Status
Non-live
Molecular Weight
356.5 g/mol
Dates
  • Create:
    2009-05-30

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 40477988.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-(2-piperidin-1-ium-1-ylacetyl)oxypentyl 2-piperidin-1-ium-1-ylacetate

2.1.2 InChI

InChI=1S/C19H34N2O4/c22-18(16-20-10-4-1-5-11-20)24-14-8-3-9-15-25-19(23)17-21-12-6-2-7-13-21/h1-17H2/p+2

2.1.3 InChIKey

FFINIJMGIFWBPH-UHFFFAOYSA-P

2.1.4 SMILES

C1CC[NH+](CC1)CC(=O)OCCCCCOC(=O)C[NH+]2CCCCC2

2.2 Molecular Formula

C19H36N2O4+2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
356.5 g/mol
Property Name
XLogP3-AA
Property Value
2.9
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
12
Property Name
Exact Mass
Property Value
356.26750763 g/mol
Property Name
Monoisotopic Mass
Property Value
356.26750763 g/mol
Property Name
Topological Polar Surface Area
Property Value
61.5 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
2
Property Name
Complexity
Property Value
355
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