4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine

C13H20BrN3 — CID 105368114

IUPAC4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine
SMILESCc1cnc(N2CC(C)N(C)C(C)C2)c(Br)c1
InChIInChI=1S/C13H20BrN3/c1-9-5-12(14)13(15-6-9)17-7-10(2)16(4)11(3)8-17/h5-6,10-11H,7-8H2,1-4H3
InChIKeyILCAIZGMXDAYAP-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.68
Rot. Bonds1

About 4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine

4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine (PubChem CID 105368114) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine.

Molecular Properties

Compound Name4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine
PubChem CID105368114
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine
SMILESCc1cnc(N2CC(C)N(C)C(C)C2)c(Br)c1
InChIInChI=1S/C13H20BrN3/c1-9-5-12(14)13(15-6-9)17-7-10(2)16(4)11(3)8-17/h5-6,10-11H,7-8H2,1-4H3
InChIKeyILCAIZGMXDAYAP-UHFFFAOYSA-N
XLogP2.68
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine
CID 105367629
4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine
CID 105367957
1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol
CID 131165420
[1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 105367527
(3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine
CID 96944499
3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine
CID 105368742
2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine
CID 102937171
4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane
CID 105367904
3-bromo-5-methyl-2-(2-methylpyrrolidin-1-yl)pyridine
CID 105367577
1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine
CID 105367783
1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine
CID 105367921
[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol
CID 105367532

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine?
The IUPAC name of 4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine (CID 105368114) is 4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine.
What is the SMILES notation for 4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine?
The canonical SMILES for 4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine is Cc1cnc(N2CC(C)N(C)C(C)C2)c(Br)c1.
What is the InChIKey of 4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine?
The InChIKey is ILCAIZGMXDAYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-9-5-12(14)13(15-6-9)17-7-10(2)16(4)11(3)8-17/h5-6,10-11H,7-8H2,1-4H3.
What are the key properties of 4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine?
4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine has a molecular weight of 298.23 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine is sourced from PubChem (CID 105368114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).