1-(5-bromo-6-methyl-2-pyridinyl)-4-ethylpiperazine

C12H18BrN3 — CID 75487705

IUPAC1-(5-bromo-6-methyl-2-pyridinyl)-4-ethylpiperazine
SMILESCCN1CCN(c2ccc(Br)c(C)n2)CC1
InChIInChI=1S/C12H18BrN3/c1-3-15-6-8-16(9-7-15)12-5-4-11(13)10(2)14-12/h4-5H,3,6-9H2,1-2H3
InChIKeyOYIJAZWAJLAGPV-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.29
Rot. Bonds2

About 1-(5-bromo-6-methyl-2-pyridinyl)-4-ethylpiperazine

1-(5-bromo-6-methyl-2-pyridinyl)-4-ethylpiperazine (PubChem CID 75487705) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-(5-bromo-6-methyl-2-pyridinyl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-6-methyl-2-pyridinyl)-4-ethylpiperazine
PubChem CID75487705
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name1-(5-bromo-6-methyl-2-pyridinyl)-4-ethylpiperazine
SMILESCCN1CCN(c2ccc(Br)c(C)n2)CC1
InChIInChI=1S/C12H18BrN3/c1-3-15-6-8-16(9-7-15)12-5-4-11(13)10(2)14-12/h4-5H,3,6-9H2,1-2H3
InChIKeyOYIJAZWAJLAGPV-UHFFFAOYSA-N
XLogP2.29
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-methyl-2-pyridinyl)-4-ethylpiperazine?
The IUPAC name of 1-(5-bromo-6-methyl-2-pyridinyl)-4-ethylpiperazine (CID 75487705) is 1-(5-bromo-6-methyl-2-pyridinyl)-4-ethylpiperazine.
What is the SMILES notation for 1-(5-bromo-6-methyl-2-pyridinyl)-4-ethylpiperazine?
The canonical SMILES for 1-(5-bromo-6-methyl-2-pyridinyl)-4-ethylpiperazine is CCN1CCN(c2ccc(Br)c(C)n2)CC1.
What is the InChIKey of 1-(5-bromo-6-methyl-2-pyridinyl)-4-ethylpiperazine?
The InChIKey is OYIJAZWAJLAGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-3-15-6-8-16(9-7-15)12-5-4-11(13)10(2)14-12/h4-5H,3,6-9H2,1-2H3.
What are the key properties of 1-(5-bromo-6-methyl-2-pyridinyl)-4-ethylpiperazine?
1-(5-bromo-6-methyl-2-pyridinyl)-4-ethylpiperazine has a molecular weight of 284.20 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-methyl-2-pyridinyl)-4-ethylpiperazine is sourced from PubChem (CID 75487705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).