Eperisone Impurity 3

CAT: 1299-RM-E160503-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E160503-03Size:50 mg

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CAS Number

2608845-69-6

Synonyms

1- (2-ethylphenyl) -2-methyl-3- (piperidin-1-yl) propan-1-one

Molecular Formula

C17H25NO

Molecular Weight

259.39

Target Alternative Name

Eperisone

Product Name Synonym

1- (2-ethylphenyl) -2-methyl-3- (piperidin-1-yl) propan-1-one

Chemical Information

1-(2-Ethylphenyl)-2-methyl-3-(piperidin-1-yl)propan-1-one

CAS Number	2608845-69-6
PubChem CID	175666177
IUPAC Name	1-(2-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
Molecular Formula	C17H25NO
Molecular Weight	259.4
XLogP	3.8
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	283

SMILES

CCC1=CC=CC=C1C(=O)C(C)CN2CCCCC2

InChI

InChI=1S/C17H25NO/c1-3-15-9-5-6-10-16(15)17(19)14(2)13-18-11-7-4-8-12-18/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3

InChIKey

LTYODVJHSFFOKH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2608845-69-6

CID: 175666177

Formula: C17H25NO

MW: 259.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	259.4
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	259.193614421
Monoisotopic Mass	259.193614421
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	283
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes