Home Carboxys 1-Isonicotinoyl-3-piperidinecarboxylic acid

1-Isonicotinoyl-3-piperidinecarboxylic acid

CAS No.:
67691-63-8
Catalog Number:
AG00FFYP
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
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Product Description
Catalog Number:
AG00FFYP
Chemical Name:
1-Isonicotinoyl-3-piperidinecarboxylic acid
CAS Number:
67691-63-8
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
MDL Number:
MFCD08444920
IUPAC Name:
1-(pyridine-4-carbonyl)piperidine-3-carboxylic acid
InChI:
InChI=1S/C12H14N2O3/c15-11(9-3-5-13-6-4-9)14-7-1-2-10(8-14)12(16)17/h3-6,10H,1-2,7-8H2,(H,16,17)
InChI Key:
HQGGJAWLHZDKLT-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)C(=O)c1ccncc1
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties