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Piperilate

CAT: 0931-T61075-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T61075-01Size:25 mg
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CAS Number
4546-39-8
Target
Others, Cholinesterase (ChE)
Related Pathways
Others, Neuroscience
Bioactivity
Piperilate, also known as Pipethanate, is a hetrazepine derivative PAF antagonist and anticholinergic mixture, commonly utilized in bronchial asthma research. This compound exhibits hypotensive properties and has been found to effectively counteract the toxic effects of organophosphates in mice [1] [2] [3].
Smiles
C(C(OCCN1CCCCC1)=O)(O)(C2=CC=CC=C2)C3=CC=CC=C3
Molecular Formula
C21H25NO3
Molecular Weight
339.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(1-Piperidinyl)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate

Pipethanate is a diarylmethane.

CAS Number4546-39-8
PubChem CID20674
IUPAC Name2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate
Molecular FormulaC21H25NO3
Molecular Weight339.4
XLogP3.5
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity389
SMILES
C1CCN(CC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H25NO3/c23-20(25-17-16-22-14-8-3-9-15-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,24H,3,8-9,14-17H2
InChIKey
RZWPJFMNFATBEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(1-Piperidinyl)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate
CAS: 4546-39-8
CID: 20674
Formula: C21H25NO3
MW: 339.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass339.18344366
Monoisotopic Mass339.18344366
Topological Polar Surface Area49.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity389
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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