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Piperyline

CAT: 1596-AR-P33541-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P33541-02Size:25 Units
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CAS Number
25924-78-1
Molecular Formula
C16H17NO3
Molecular Weight
271.32
API Name
Pyrrolidine

Chemical Information

Piperyline

Piperyline is a N-acylpyrrolidine that is pyrollidine substituted by a (1E,3E)-1-(1,3-benzodioxol-5-yl)-5-oxopenta-1,3-dien-5-yl group at the nitrogen atom. It is an alkaloid isolated from the plant Piper nigrum. It has a role as an antifungal agent, an apoptosis inducer and a plant metabolite. It is a tertiary carboxamide, a pyrrolidine alkaloid, a member of benzodioxoles and a N-acylpyrrolidine. It is functionally related to an (E,E)-piperic acid.

CAS Number25924-78-1
PubChem CID636537
IUPAC Name(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylpenta-2,4-dien-1-one
Molecular FormulaC16H17NO3
Molecular Weight271.31
XLogP3.1
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity399
SMILES
C1CCN(C1)C(=O)/C=C/C=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C16H17NO3/c18-16(17-9-3-4-10-17)6-2-1-5-13-7-8-14-15(11-13)20-12-19-14/h1-2,5-8,11H,3-4,9-10,12H2/b5-1+,6-2+
InChIKey
GQIJYUMTOUBHSH-IJIVKGSJSA-N
Chemical Structure
2D Structure
2D structure of Piperyline
CAS: 25924-78-1
CID: 636537
Formula: C16H17NO3
MW: 271.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight271.31
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass271.12084340
Monoisotopic Mass271.12084340
Topological Polar Surface Area38.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity399
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

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CatalogName
GTR19269580Piperyline

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