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1017603-80-3 | 2-Pyrazinecarboxylic acid, 5-(1-piperidinyl)-, methyl ester
CAS No: 1017603-80-3 Catalog No: AG0005F1 MDL No:
Product Description
Catalog Number:
AG0005F1
Chemical Name:
2-Pyrazinecarboxylic acid, 5-(1-piperidinyl)-, methyl ester
CAS Number:
1017603-80-3
Molecular Formula:
C11H15N3O2
Molecular Weight:
221.2557
IUPAC Name:
methyl 5-piperidin-1-ylpyrazine-2-carboxylate
InChI:
InChI=1S/C11H15N3O2/c1-16-11(15)9-7-13-10(8-12-9)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3
InChI Key:
JRAKMRDSYIXCPF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(nc1)N1CCCCC1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.26g/mol
Monoisotopic Mass:
221.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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