Piperilate

CAT: 0013-GTR19187489-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19187489-03Size:100 mg

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Description

Piperilate

CAS Number

4546-39-8

Field of Research

Neuroscience

Smiles

C (C (OCCN1CCCCC1) =O) (O) (C2=CC=CC=C2) C3=CC=CC=C3

Molecular Formula

C21H25NO3

Molecular Weight

339.43

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

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

Pipethanate is a diarylmethane.

CAS Number	4546-39-8
PubChem CID	20674
IUPAC Name	2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate
Molecular Formula	C21H25NO3
Molecular Weight	339.4
XLogP	3.5
Topological Polar Surface Area	49.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	25
Formal Charge	0
Complexity	389

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

CAS: 4546-39-8

CID: 20674

Formula: C21H25NO3

MW: 339.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	339.4
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	339.18344366
Monoisotopic Mass	339.18344366
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	389
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

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GTR19167640-01	Piperidolate
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GTR19166491-01	Piperidolate hydrochloride
GTR19230073-01	Methyl piperate
GTR19269394	Methyl piperate

Alternative Products

Catalog	Name
MBS5803786	Piperilate
MBS5811784	Piperilate HCl
HY-105790A	Piperilate (hydrochloride)

Piperilate

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