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Piperundecalidine

CAT: 0931-T123999-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T123999-02Size:5 mg
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CAS Number
88660-11-1
Target
Others
Related Pathways
Others
Bioactivity
Piperundecalidine is a useful organic compound for research related to life sciences. The catalog number is T123999 and the CAS number is 88660-11-1.
Smiles
O=C(\C=C\C=C\CCCC\C=C\c1ccc2OCOc2c1)N1CCCCC1
Molecular Formula
C23H29NO3
Molecular Weight
367.489
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Piperundecalidine

Piperundecalidine is a member of benzodioxoles.

CAS Number88660-11-1
PubChem CID44453654
IUPAC Name(2E,4E,10E)-11-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylundeca-2,4,10-trien-1-one
Molecular FormulaC23H29NO3
Molecular Weight367.5
XLogP5.4
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity534
SMILES
C1CCN(CC1)C(=O)/C=C/C=C/CCCC/C=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C23H29NO3/c25-23(24-16-10-7-11-17-24)13-9-6-4-2-1-3-5-8-12-20-14-15-21-22(18-20)27-19-26-21/h4,6,8-9,12-15,18H,1-3,5,7,10-11,16-17,19H2/b6-4+,12-8+,13-9+
InChIKey
BADLEYLQAILHPV-AZMZBSBOSA-N
Chemical Structure
2D Structure
2D structure of Piperundecalidine
CAS: 88660-11-1
CID: 44453654
Formula: C23H29NO3
MW: 367.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.5
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass367.21474379
Monoisotopic Mass367.21474379
Topological Polar Surface Area38.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity534
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

Alternative Products

CatalogName
HY-N12121Piperundecalidine

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