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89176-34-1 | 3-Pyridinecarboxylic acid, 4-(1-piperidinyl)-, ethyl ester
CAS No: 89176-34-1 Catalog No: AG003WEE MDL No:
Product Description
Catalog Number:
AG003WEE
Chemical Name:
3-Pyridinecarboxylic acid, 4-(1-piperidinyl)-, ethyl ester
CAS Number:
89176-34-1
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
IUPAC Name:
ethyl 4-piperidin-1-ylpyridine-3-carboxylate
InChI:
InChI=1S/C13H18N2O2/c1-2-17-13(16)11-10-14-7-6-12(11)15-8-4-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3
InChI Key:
KZVBAGCPGMHVSM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnccc1N1CCCCC1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.299g/mol
Monoisotopic Mass:
234.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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