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78348-46-6 | 2-Piperidinecarboxylicacid, 1-benzoyl-
CAS No: 78348-46-6 Catalog No: AG005MAI MDL No:MFCD02211013
Product Description
Catalog Number:
AG005MAI
Chemical Name:
2-Piperidinecarboxylicacid, 1-benzoyl-
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 |
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