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Repaglinide Impurity O

CAT: 1299-RM-R160715-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R160715-02Size:25 mg
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CAS Number
147770-03-4
Synonyms
3-methyl-1- (2- (piperidin-1-yl) phenyl) butan-1-one
Molecular Formula
C16H23NO
Molecular Weight
245.36
Target Alternative Name
Repaglinide
Product Name Synonym
3-methyl-1- (2- (piperidin-1-yl) phenyl) butan-1-one

Chemical Information

Isobutyl (2-piperidinophenyl) ketone
CAS Number147770-03-4
PubChem CID10634126
IUPAC Name3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-one
Molecular FormulaC16H23NO
Molecular Weight245.36
XLogP3.8
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity268
SMILES
CC(C)CC(=O)C1=CC=CC=C1N2CCCCC2
InChI
InChI=1S/C16H23NO/c1-13(2)12-16(18)14-8-4-5-9-15(14)17-10-6-3-7-11-17/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3
InChIKey
OIKBZKBTRRRBMK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isobutyl (2-piperidinophenyl) ketone
CAS: 147770-03-4
CID: 10634126
Formula: C16H23NO
MW: 245.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.36
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass245.177964357
Monoisotopic Mass245.177964357
Topological Polar Surface Area20.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity268
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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