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Piperettine

CAT: 0931-TN8961-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN8961-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
583-34-6
Bioactivity
Piperettine is an active compound found in pepper.
Smiles
C(=C/C=C/C=C/C(=O)N1CCCCC1)\C=2C=C3C(=CC2)OCO3
Molecular Formula
C19H21NO3
Molecular Weight
311.375
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Piperettine

Piperettine is a member of benzodioxoles.

CAS Number583-34-6
PubChem CID10244953
IUPAC Name(2E,4E,6E)-7-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylhepta-2,4,6-trien-1-one
Molecular FormulaC19H21NO3
Molecular Weight311.4
XLogP4.1
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity477
SMILES
C1CCN(CC1)C(=O)/C=C/C=C/C=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C19H21NO3/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/h1-2,4-5,8-11,14H,3,6-7,12-13,15H2/b2-1+,8-4+,9-5+
InChIKey
DLKOUKNODPCIHZ-UMYWTXKFSA-N
Chemical Structure
2D Structure
2D structure of Piperettine
CAS: 583-34-6
CID: 10244953
Formula: C19H21NO3
MW: 311.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.4
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass311.15214353
Monoisotopic Mass311.15214353
Topological Polar Surface Area38.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity477
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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