Home Carboxys 1-Benzoylpiperidine-2-carboxylic acid

1-Benzoylpiperidine-2-carboxylic acid

CAS No.:
78348-46-6
Catalog Number:
AG005MAI
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
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Product Description
Catalog Number:
AG005MAI
Chemical Name:
1-Benzoylpiperidine-2-carboxylic acid
CAS Number:
78348-46-6
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD02211013
IUPAC Name:
1-benzoylpiperidine-2-carboxylic acid
InChI:
InChI=1S/C13H15NO3/c15-12(10-6-2-1-3-7-10)14-9-5-4-8-11(14)13(16)17/h1-3,6-7,11H,4-5,8-9H2,(H,16,17)
InChI Key:
KSWNBXOCSNHTLX-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCCN1C(=O)c1ccccc1
NSC Number:
618241
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Metabolic fate of the antipsychotic agent, mazapertine, in man--API-MS and MS/MS identification of urinary metabolites. European journal of drug metabolism and pharmacokinetics 20070101
Properties