Home Carboxys 1-(5-methylpyridin-2-yl)piperidine-3-carboxylic acid

1-(5-methylpyridin-2-yl)piperidine-3-carboxylic acid

CAS No.:
954572-38-4
Catalog Number:
AG01BFII
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
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Product Description
Catalog Number:
AG01BFII
Chemical Name:
1-(5-methylpyridin-2-yl)piperidine-3-carboxylic acid
CAS Number:
954572-38-4
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD09741354
IUPAC Name:
1-(5-methylpyridin-2-yl)piperidine-3-carboxylic acid
InChI:
InChI=1S/C12H16N2O2/c1-9-4-5-11(13-7-9)14-6-2-3-10(8-14)12(15)16/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16)
InChI Key:
RVNXUDOVNWFLKL-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)c1ccc(cn1)C
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties