Piperdardine

CAT: 0013-GTR19228411-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19228411-02Size:5 mg

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Description

Piperdardine

CAS Number

188426-70-2

Smiles

C (C/C=C/C=C/C (=O) N1CCCCC1) C=2C=C3C (=CC2) OCO3

Molecular Formula

C19H23NO3

Molecular Weight

313.39

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Piperdardine

Piperdardine has been reported in Piper sintenense, Piper swartzianum, and other organisms with data available.

CAS Number	188426-70-2
PubChem CID	10086948
IUPAC Name	(2E,4E)-7-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylhepta-2,4-dien-1-one
Molecular Formula	C19H23NO3
Molecular Weight	313.4
XLogP	3.7
Topological Polar Surface Area	38.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	440

SMILES

C1CCN(CC1)C(=O)/C=C/C=C/CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H23NO3/c21-19(20-12-6-3-7-13-20)9-5-2-1-4-8-16-10-11-17-18(14-16)23-15-22-17/h1-2,5,9-11,14H,3-4,6-8,12-13,15H2/b2-1+,9-5+

InChIKey

FNECAUUPWFQEGF-RPFQBYKKSA-N

Chemical Structure

2D Structure

CAS: 188426-70-2

CID: 10086948

Formula: C19H23NO3

MW: 313.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	313.4
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	313.16779360
Monoisotopic Mass	313.16779360
Topological Polar Surface Area	38.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	440
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T125499-01	Piperdardine