2-ethyl-1-(2-methyl-3-pyridinyl)piperazine

C12H19N3 — CID 79044286

IUPAC2-ethyl-1-(2-methyl-3-pyridinyl)piperazine
SMILESCCC1CNCCN1c1cccnc1C
InChIInChI=1S/C12H19N3/c1-3-11-9-13-7-8-15(11)12-5-4-6-14-10(12)2/h4-6,11,13H,3,7-9H2,1-2H3
InChIKeyNODWMELMBMCEHP-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.58
Rot. Bonds2

About 2-ethyl-1-(2-methyl-3-pyridinyl)piperazine

2-ethyl-1-(2-methyl-3-pyridinyl)piperazine (PubChem CID 79044286) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-ethyl-1-(2-methyl-3-pyridinyl)piperazine.

Molecular Properties

Compound Name2-ethyl-1-(2-methyl-3-pyridinyl)piperazine
PubChem CID79044286
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name2-ethyl-1-(2-methyl-3-pyridinyl)piperazine
SMILESCCC1CNCCN1c1cccnc1C
InChIInChI=1S/C12H19N3/c1-3-11-9-13-7-8-15(11)12-5-4-6-14-10(12)2/h4-6,11,13H,3,7-9H2,1-2H3
InChIKeyNODWMELMBMCEHP-UHFFFAOYSA-N
XLogP1.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methyl-3-pyridinyl)piperazine?
The IUPAC name of 2-ethyl-1-(2-methyl-3-pyridinyl)piperazine (CID 79044286) is 2-ethyl-1-(2-methyl-3-pyridinyl)piperazine.
What is the SMILES notation for 2-ethyl-1-(2-methyl-3-pyridinyl)piperazine?
The canonical SMILES for 2-ethyl-1-(2-methyl-3-pyridinyl)piperazine is CCC1CNCCN1c1cccnc1C.
What is the InChIKey of 2-ethyl-1-(2-methyl-3-pyridinyl)piperazine?
The InChIKey is NODWMELMBMCEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-11-9-13-7-8-15(11)12-5-4-6-14-10(12)2/h4-6,11,13H,3,7-9H2,1-2H3.
What are the key properties of 2-ethyl-1-(2-methyl-3-pyridinyl)piperazine?
2-ethyl-1-(2-methyl-3-pyridinyl)piperazine has a molecular weight of 205.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methyl-3-pyridinyl)piperazine is sourced from PubChem (CID 79044286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).