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Pipernonaline

CAT: 0013-GTR19230102-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230102-01Size:1 mg
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Description
Pipernonaline (CAS 88660-10-0) is a bioactive alkaloid used in life science research. It has been studied in vitro for its potential pharmacological properties, including investigations into its effects on various cellular pathways.
CAS Number
88660-10-0
Field of Research
Cell Biology, Protein Biochemistry
Smiles
O=C (\C=C\CCCC\C=C\c1ccc2OCOc2c1) N1CCCCC1
Molecular Formula
C21H27NO3
Molecular Weight
341.451
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pipernonaline

Pipernonaline is a member of benzodioxoles.

CAS Number88660-10-0
PubChem CID9974595
IUPAC Name(2E,8E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnona-2,8-dien-1-one
Molecular FormulaC21H27NO3
Molecular Weight341.4
XLogP4.8
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity468
SMILES
C1CCN(CC1)C(=O)/C=C/CCCC/C=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C21H27NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h6-7,10-13,16H,1-5,8-9,14-15,17H2/b10-6+,11-7+
InChIKey
PKLGRWSJBLGIBF-JMQWPVDRSA-N
Chemical Structure
2D Structure
2D structure of Pipernonaline
CAS: 88660-10-0
CID: 9974595
Formula: C21H27NO3
MW: 341.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.4
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass341.19909372
Monoisotopic Mass341.19909372
Topological Polar Surface Area38.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity468
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M32653-01Pipernonaline

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