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

C12H18BrN3 — CID 115773789

IUPAC1-(5-bromo-4-methyl-2-pyridinyl)-4-ethylpiperazine
SMILESCCN1CCN(c2cc(C)c(Br)cn2)CC1
InChIInChI=1S/C12H18BrN3/c1-3-15-4-6-16(7-5-15)12-8-10(2)11(13)9-14-12/h8-9H,3-7H2,1-2H3
InChIKeyNAVWCUVNJVLWDZ-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.29
Rot. Bonds2

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

1-(5-bromo-4-methyl-2-pyridinyl)-4-ethylpiperazine (PubChem CID 115773789) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-(5-bromo-4-methyl-2-pyridinyl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-4-methyl-2-pyridinyl)-4-ethylpiperazine
PubChem CID115773789
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name1-(5-bromo-4-methyl-2-pyridinyl)-4-ethylpiperazine
SMILESCCN1CCN(c2cc(C)c(Br)cn2)CC1
InChIInChI=1S/C12H18BrN3/c1-3-15-4-6-16(7-5-15)12-8-10(2)11(13)9-14-12/h8-9H,3-7H2,1-2H3
InChIKeyNAVWCUVNJVLWDZ-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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Related Compounds

1-(5-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine
CID 115773969
1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine
CID 115773841
3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 114868973
1-(5-bromo-4-methyl-2-pyridinyl)azepane
CID 53408181
2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 114869111
2-(4-ethylpiperazin-1-yl)-5-methylpyridin-4-amine
CID 83265203
4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine
CID 115773933
2-[6-(4-ethylpiperazin-1-yl)-4-methyl-3-pyridinyl]ethanol
CID 102545622
1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 115773812
4-(5-bromo-4-methyl-2-pyridinyl)-1,4-thiazinane 1-oxide
CID 115774067
1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine
CID 115773799
5-bromo-2-[4-(1-bromoethyl)piperidin-1-yl]-4-methylpyridine
CID 106838653

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-4-ethylpiperazine?
The IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-4-ethylpiperazine (CID 115773789) is 1-(5-bromo-4-methyl-2-pyridinyl)-4-ethylpiperazine.
What is the SMILES notation for 1-(5-bromo-4-methyl-2-pyridinyl)-4-ethylpiperazine?
The canonical SMILES for 1-(5-bromo-4-methyl-2-pyridinyl)-4-ethylpiperazine is CCN1CCN(c2cc(C)c(Br)cn2)CC1.
What is the InChIKey of 1-(5-bromo-4-methyl-2-pyridinyl)-4-ethylpiperazine?
The InChIKey is NAVWCUVNJVLWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-3-15-4-6-16(7-5-15)12-8-10(2)11(13)9-14-12/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methyl-2-pyridinyl)-4-ethylpiperazine?
1-(5-bromo-4-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-4-methyl-2-pyridinyl)-4-ethylpiperazine is sourced from PubChem (CID 115773789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).