Home Carboxys 1-(phenoxyacetyl)piperidine-3-carboxylic acid

1-(phenoxyacetyl)piperidine-3-carboxylic acid

CAS No.:
1017163-00-6
Catalog Number:
AG00H9K4
Molecular Formula:
C14H17NO4
Molecular Weight:
263.2891
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Product Description
Catalog Number:
AG00H9K4
Chemical Name:
1-(phenoxyacetyl)piperidine-3-carboxylic acid
CAS Number:
1017163-00-6
Molecular Formula:
C14H17NO4
Molecular Weight:
263.2891
MDL Number:
MFCD09816870
IUPAC Name:
1-(2-phenoxyacetyl)piperidine-3-carboxylic acid
InChI:
InChI=1S/C14H17NO4/c16-13(10-19-12-6-2-1-3-7-12)15-8-4-5-11(9-15)14(17)18/h1-3,6-7,11H,4-5,8-10H2,(H,17,18)
InChI Key:
TYXDMRWXGCPHPT-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)C(=O)COc1ccccc1
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.116g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
263.293g/mol
Monoisotopic Mass:
263.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties