1-(5-fluoro-3-methoxy-6-methyl-2-pyridinyl)piperazine

C11H16FN3O — CID 176811584

IUPAC1-(5-fluoro-3-methoxy-6-methyl-2-pyridinyl)piperazine
SMILESCOc1cc(F)c(C)nc1N1CCNCC1
InChIInChI=1S/C11H16FN3O/c1-8-9(12)7-10(16-2)11(14-8)15-5-3-13-4-6-15/h7,13H,3-6H2,1-2H3
InChIKeyWCOUTLMHYRUOHG-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.95
Rot. Bonds2

About 1-(5-fluoro-3-methoxy-6-methyl-2-pyridinyl)piperazine

1-(5-fluoro-3-methoxy-6-methyl-2-pyridinyl)piperazine (PubChem CID 176811584) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-(5-fluoro-3-methoxy-6-methyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(5-fluoro-3-methoxy-6-methyl-2-pyridinyl)piperazine
PubChem CID176811584
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name1-(5-fluoro-3-methoxy-6-methyl-2-pyridinyl)piperazine
SMILESCOc1cc(F)c(C)nc1N1CCNCC1
InChIInChI=1S/C11H16FN3O/c1-8-9(12)7-10(16-2)11(14-8)15-5-3-13-4-6-15/h7,13H,3-6H2,1-2H3
InChIKeyWCOUTLMHYRUOHG-UHFFFAOYSA-N
XLogP0.95
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methoxy-6-methyl-2-pyridinyl)piperazine?
The IUPAC name of 1-(5-fluoro-3-methoxy-6-methyl-2-pyridinyl)piperazine (CID 176811584) is 1-(5-fluoro-3-methoxy-6-methyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(5-fluoro-3-methoxy-6-methyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-(5-fluoro-3-methoxy-6-methyl-2-pyridinyl)piperazine is COc1cc(F)c(C)nc1N1CCNCC1.
What is the InChIKey of 1-(5-fluoro-3-methoxy-6-methyl-2-pyridinyl)piperazine?
The InChIKey is WCOUTLMHYRUOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-8-9(12)7-10(16-2)11(14-8)15-5-3-13-4-6-15/h7,13H,3-6H2,1-2H3.
What are the key properties of 1-(5-fluoro-3-methoxy-6-methyl-2-pyridinyl)piperazine?
1-(5-fluoro-3-methoxy-6-methyl-2-pyridinyl)piperazine has a molecular weight of 225.27 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methoxy-6-methyl-2-pyridinyl)piperazine is sourced from PubChem (CID 176811584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).