methyl 6-(3,3-dimethylpiperazin-1-yl)pyridine-2-carboxylate

C13H19N3O2 — CID 134372059

IUPACmethyl 6-(3,3-dimethylpiperazin-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(N2CCNC(C)(C)C2)n1
InChIInChI=1S/C13H19N3O2/c1-13(2)9-16(8-7-14-13)11-6-4-5-10(15-11)12(17)18-3/h4-6,14H,7-9H2,1-3H3
InChIKeyUEAPIZONOVZRGY-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.06
Rot. Bonds2

About methyl 6-(3,3-dimethylpiperazin-1-yl)pyridine-2-carboxylate

methyl 6-(3,3-dimethylpiperazin-1-yl)pyridine-2-carboxylate (PubChem CID 134372059) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 6-(3,3-dimethylpiperazin-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3,3-dimethylpiperazin-1-yl)pyridine-2-carboxylate
PubChem CID134372059
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 6-(3,3-dimethylpiperazin-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(N2CCNC(C)(C)C2)n1
InChIInChI=1S/C13H19N3O2/c1-13(2)9-16(8-7-14-13)11-6-4-5-10(15-11)12(17)18-3/h4-6,14H,7-9H2,1-3H3
InChIKeyUEAPIZONOVZRGY-UHFFFAOYSA-N
XLogP1.06
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3,3-dimethylpiperazin-1-yl)pyrimidine-2-carboxylate
CID 82993874
3,3-dimethyl-1-(6-methyl-2-pyridinyl)piperazine
CID 82993443
1-(6-bromo-2-pyridinyl)-3,3-dimethylpiperazine
CID 170991997
methyl 6-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate
CID 126806929
methyl 6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate
CID 172806493
methyl 6-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxylate
CID 123942155
2-(3,3-dimethylpiperazin-1-yl)-8-methylquinoline
CID 174868871
3,3-dimethyl-1-(6-methyl-5-nitro-2-pyridinyl)piperazine
CID 82994052
6-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxylic acid
CID 62239023
6-[3-methoxycarbonyl-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122057874
2-methoxy-2-methylpropane;methyl 6-[(2S)-2-methyl-1,4-diazepan-1-yl]pyridine-2-carboxylate;hydrate
CID 168910211
methyl 2-piperazin-1-ylpyrimidine-4-carboxylate
CID 131596703

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3,3-dimethylpiperazin-1-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(3,3-dimethylpiperazin-1-yl)pyridine-2-carboxylate (CID 134372059) is methyl 6-(3,3-dimethylpiperazin-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(3,3-dimethylpiperazin-1-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(3,3-dimethylpiperazin-1-yl)pyridine-2-carboxylate is COC(=O)c1cccc(N2CCNC(C)(C)C2)n1.
What is the InChIKey of methyl 6-(3,3-dimethylpiperazin-1-yl)pyridine-2-carboxylate?
The InChIKey is UEAPIZONOVZRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2)9-16(8-7-14-13)11-6-4-5-10(15-11)12(17)18-3/h4-6,14H,7-9H2,1-3H3.
What are the key properties of methyl 6-(3,3-dimethylpiperazin-1-yl)pyridine-2-carboxylate?
methyl 6-(3,3-dimethylpiperazin-1-yl)pyridine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3,3-dimethylpiperazin-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 134372059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).