Home Carboxys 1-(2-Phenylacetyl)-3-piperidinecarboxylic acid

1-(2-Phenylacetyl)-3-piperidinecarboxylic acid

CAS No.:
1017381-24-6
Catalog Number:
AG00H9KI
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
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Product Description
Catalog Number:
AG00H9KI
Chemical Name:
1-(2-Phenylacetyl)-3-piperidinecarboxylic acid
CAS Number:
1017381-24-6
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD09814410
IUPAC Name:
1-(2-phenylacetyl)piperidine-3-carboxylic acid
InChI:
InChI=1S/C14H17NO3/c16-13(9-11-5-2-1-3-6-11)15-8-4-7-12(10-15)14(17)18/h1-3,5-6,12H,4,7-10H2,(H,17,18)
InChI Key:
POFNOURPIVBRIP-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)C(=O)Cc1ccccc1
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties