Eperisone Impurity 4

CAT: 1299-RM-E160504-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E160504-02Size:25 mg

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CAS Number

176860-00-7

Synonyms

1- (4-ethylphenyl) -3- (piperidin-1-yl) propan-1-one

Molecular Formula

C16H23NO

Molecular Weight

245.37

Target Alternative Name

Eperisone

Product Name Synonym

1- (4-ethylphenyl) -3- (piperidin-1-yl) propan-1-one

Chemical Information

1-(4-Ethylphenyl)-3-(piperidin-1-yl)propan-1-one

CAS Number	176860-00-7
PubChem CID	10514522
IUPAC Name	1-(4-ethylphenyl)-3-piperidin-1-ylpropan-1-one
Molecular Formula	C16H23NO
Molecular Weight	245.36
XLogP	3.2
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	250

SMILES

CCC1=CC=C(C=C1)C(=O)CCN2CCCCC2

InChI

InChI=1S/C16H23NO/c1-2-14-6-8-15(9-7-14)16(18)10-13-17-11-4-3-5-12-17/h6-9H,2-5,10-13H2,1H3

InChIKey

CDEUCTCDAZPSEQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 176860-00-7

CID: 10514522

Formula: C16H23NO

MW: 245.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	245.36
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	245.177964357
Monoisotopic Mass	245.177964357
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	250
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