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132144-02-6 | 3-Pyridinecarboxylic acid, 6-(4-methyl-1-piperazinyl)-, methyl ester
CAS No: 132144-02-6 Catalog No: AG0010AC MDL No:MFCD00894965
Product Description
Catalog Number:
AG0010AC
Chemical Name:
3-Pyridinecarboxylic acid, 6-(4-methyl-1-piperazinyl)-, methyl ester
CAS Number:
132144-02-6
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
MDL Number:
MFCD00894965
IUPAC Name:
methyl 6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
InChI:
InChI=1S/C12H17N3O2/c1-14-5-7-15(8-6-14)11-4-3-10(9-13-11)12(16)17-2/h3-4,9H,5-8H2,1-2H3
InChI Key:
UQVXHYAVALLCBQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(nc1)N1CCN(CC1)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.287g/mol
Monoisotopic Mass:
235.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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