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1369241-44-0 | 3-Piperidinecarboxylic acid, 1-(3-pyridinyl)-, ethyl ester
CAS No: 1369241-44-0 Catalog No: AG0012K9 MDL No:
Product Description
Catalog Number:
AG0012K9
Chemical Name:
3-Piperidinecarboxylic acid, 1-(3-pyridinyl)-, ethyl ester
CAS Number:
1369241-44-0
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
IUPAC Name:
ethyl 1-pyridin-3-ylpiperidine-3-carboxylate
InChI:
InChI=1S/C13H18N2O2/c1-2-17-13(16)11-5-4-8-15(10-11)12-6-3-7-14-9-12/h3,6-7,9,11H,2,4-5,8,10H2,1H3
InChI Key:
ZEALZDMBSIIGOJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCN(C1)c1cccnc1
Properties
Complexity:
258
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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