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89176-35-2 | 3-Pyridinecarboxylic acid, 5-methyl-4-(1-piperidinyl)-, ethyl ester
CAS No: 89176-35-2 Catalog No: AG003WL7 MDL No:
Product Description
Catalog Number:
AG003WL7
Chemical Name:
3-Pyridinecarboxylic acid, 5-methyl-4-(1-piperidinyl)-, ethyl ester
CAS Number:
89176-35-2
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
IUPAC Name:
ethyl 5-methyl-4-piperidin-1-ylpyridine-3-carboxylate
InChI:
InChI=1S/C14H20N2O2/c1-3-18-14(17)12-10-15-9-11(2)13(12)16-7-5-4-6-8-16/h9-10H,3-8H2,1-2H3
InChI Key:
YAHGWJRPSJQBSM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cncc(c1N1CCCCC1)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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