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Repaglinide Impurity P

CAT: 1299-RM-R160716-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R160716-04Size:100 mg
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CAS Number
332347-70-3
Synonyms
3-methyl-1- (2- (piperidin-1-yl) phenyl) butan-1-ol
Molecular Formula
C16H25NO
Molecular Weight
247.38
Target Alternative Name
Repaglinide
Product Name Synonym
3-methyl-1- (2- (piperidin-1-yl) phenyl) butan-1-ol

Chemical Information

3-Methyl-1-(2-piperidino phenyl)butylalcohol
CAS Number332347-70-3
PubChem CID22149716
IUPAC Name3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-ol
Molecular FormulaC16H25NO
Molecular Weight247.38
XLogP3.7
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity235
SMILES
CC(C)CC(C1=CC=CC=C1N2CCCCC2)O
InChI
InChI=1S/C16H25NO/c1-13(2)12-16(18)14-8-4-5-9-15(14)17-10-6-3-7-11-17/h4-5,8-9,13,16,18H,3,6-7,10-12H2,1-2H3
InChIKey
QEJLRMDNTYBYNK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methyl-1-(2-piperidino phenyl)butylalcohol
CAS: 332347-70-3
CID: 22149716
Formula: C16H25NO
MW: 247.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight247.38
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass247.193614421
Monoisotopic Mass247.193614421
Topological Polar Surface Area23.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity235
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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