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138828-90-7 | 1-Piperidinecarboxylic acid, 4-(2-pyridinyl)-, ethyl ester
CAS No: 138828-90-7 Catalog No: AG0019O0 MDL No:
Product Description
Catalog Number:
AG0019O0
Chemical Name:
1-Piperidinecarboxylic acid, 4-(2-pyridinyl)-, ethyl ester
CAS Number:
138828-90-7
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
IUPAC Name:
ethyl 4-pyridin-2-ylpiperidine-1-carboxylate
InChI:
InChI=1S/C13H18N2O2/c1-2-17-13(16)15-9-6-11(7-10-15)12-5-3-4-8-14-12/h3-5,8,11H,2,6-7,9-10H2,1H3
InChI Key:
CPCDOQZPZDCNFE-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCC(CC1)c1ccccn1
Properties
Complexity:
250
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.299g/mol
Monoisotopic Mass:
234.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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