1-(3-bromo-6-methyl-2-pyridinyl)-4-methylpiperazine

C11H16BrN3 — CID 90004650

IUPAC1-(3-bromo-6-methyl-2-pyridinyl)-4-methylpiperazine
SMILESCc1ccc(Br)c(N2CCN(C)CC2)n1
InChIInChI=1S/C11H16BrN3/c1-9-3-4-10(12)11(13-9)15-7-5-14(2)6-8-15/h3-4H,5-8H2,1-2H3
InChIKeyPWCNCICBPLOTGW-UHFFFAOYSA-N
MW270.17 g/mol
LogP1.90
Rot. Bonds1

About 1-(3-bromo-6-methyl-2-pyridinyl)-4-methylpiperazine

1-(3-bromo-6-methyl-2-pyridinyl)-4-methylpiperazine (PubChem CID 90004650) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-(3-bromo-6-methyl-2-pyridinyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(3-bromo-6-methyl-2-pyridinyl)-4-methylpiperazine
PubChem CID90004650
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name1-(3-bromo-6-methyl-2-pyridinyl)-4-methylpiperazine
SMILESCc1ccc(Br)c(N2CCN(C)CC2)n1
InChIInChI=1S/C11H16BrN3/c1-9-3-4-10(12)11(13-9)15-7-5-14(2)6-8-15/h3-4H,5-8H2,1-2H3
InChIKeyPWCNCICBPLOTGW-UHFFFAOYSA-N
XLogP1.90
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-6-methyl-2-pyridinyl)-4-methylpiperazine?
The IUPAC name of 1-(3-bromo-6-methyl-2-pyridinyl)-4-methylpiperazine (CID 90004650) is 1-(3-bromo-6-methyl-2-pyridinyl)-4-methylpiperazine.
What is the SMILES notation for 1-(3-bromo-6-methyl-2-pyridinyl)-4-methylpiperazine?
The canonical SMILES for 1-(3-bromo-6-methyl-2-pyridinyl)-4-methylpiperazine is Cc1ccc(Br)c(N2CCN(C)CC2)n1.
What is the InChIKey of 1-(3-bromo-6-methyl-2-pyridinyl)-4-methylpiperazine?
The InChIKey is PWCNCICBPLOTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-9-3-4-10(12)11(13-9)15-7-5-14(2)6-8-15/h3-4H,5-8H2,1-2H3.
What are the key properties of 1-(3-bromo-6-methyl-2-pyridinyl)-4-methylpiperazine?
1-(3-bromo-6-methyl-2-pyridinyl)-4-methylpiperazine has a molecular weight of 270.17 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-6-methyl-2-pyridinyl)-4-methylpiperazine is sourced from PubChem (CID 90004650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).