methyl 4-methyl-6-piperazin-1-ylpyridine-2-carboxylate

C12H17N3O2 — CID 174326675

IUPACmethyl 4-methyl-6-piperazin-1-ylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)cc(N2CCNCC2)n1
InChIInChI=1S/C12H17N3O2/c1-9-7-10(12(16)17-2)14-11(8-9)15-5-3-13-4-6-15/h7-8,13H,3-6H2,1-2H3
InChIKeyNVLDFLPARSSSMT-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.59
Rot. Bonds2

About methyl 4-methyl-6-piperazin-1-ylpyridine-2-carboxylate

methyl 4-methyl-6-piperazin-1-ylpyridine-2-carboxylate (PubChem CID 174326675) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is methyl 4-methyl-6-piperazin-1-ylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-piperazin-1-ylpyridine-2-carboxylate
PubChem CID174326675
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Namemethyl 4-methyl-6-piperazin-1-ylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)cc(N2CCNCC2)n1
InChIInChI=1S/C12H17N3O2/c1-9-7-10(12(16)17-2)14-11(8-9)15-5-3-13-4-6-15/h7-8,13H,3-6H2,1-2H3
InChIKeyNVLDFLPARSSSMT-UHFFFAOYSA-N
XLogP0.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-piperazin-1-ylpyridine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-piperazin-1-ylpyridine-2-carboxylate (CID 174326675) is methyl 4-methyl-6-piperazin-1-ylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-piperazin-1-ylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-piperazin-1-ylpyridine-2-carboxylate is COC(=O)c1cc(C)cc(N2CCNCC2)n1.
What is the InChIKey of methyl 4-methyl-6-piperazin-1-ylpyridine-2-carboxylate?
The InChIKey is NVLDFLPARSSSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-7-10(12(16)17-2)14-11(8-9)15-5-3-13-4-6-15/h7-8,13H,3-6H2,1-2H3.
What are the key properties of methyl 4-methyl-6-piperazin-1-ylpyridine-2-carboxylate?
methyl 4-methyl-6-piperazin-1-ylpyridine-2-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-piperazin-1-ylpyridine-2-carboxylate is sourced from PubChem (CID 174326675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).