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132144-03-7 | 3-Pyridinecarboxylic acid, 6-(1-piperazinyl)-, methyl ester
CAS No: 132144-03-7 Catalog No: AG0010AB MDL No:MFCD00894966
Product Description
Catalog Number:
AG0010AB
Chemical Name:
3-Pyridinecarboxylic acid, 6-(1-piperazinyl)-, methyl ester
CAS Number:
132144-03-7
Molecular Formula:
C11H15N3O2
Molecular Weight:
221.2557
MDL Number:
MFCD00894966
IUPAC Name:
methyl 6-piperazin-1-ylpyridine-3-carboxylate
InChI:
InChI=1S/C11H15N3O2/c1-16-11(15)9-2-3-10(13-8-9)14-6-4-12-5-7-14/h2-3,8,12H,4-7H2,1H3
InChI Key:
HMFYTTJLIFNUCP-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(nc1)N1CCNCC1
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:
1
Isotope Atom Count:
0
Molecular Weight:
221.26g/mol
Monoisotopic Mass:
221.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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