1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine

C11H16BrN3 — CID 83903383

IUPAC1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1cc(CN2CCNCC2)ncc1Br
InChIInChI=1S/C11H16BrN3/c1-9-6-10(14-7-11(9)12)8-15-4-2-13-3-5-15/h6-7,13H,2-5,8H2,1H3
InChIKeyIXXVQVLMDFHFJC-UHFFFAOYSA-N
MW270.17 g/mol
LogP1.56
Rot. Bonds2

About 1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine

1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine (PubChem CID 83903383) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine
PubChem CID83903383
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1cc(CN2CCNCC2)ncc1Br
InChIInChI=1S/C11H16BrN3/c1-9-6-10(14-7-11(9)12)8-15-4-2-13-3-5-15/h6-7,13H,2-5,8H2,1H3
InChIKeyIXXVQVLMDFHFJC-UHFFFAOYSA-N
XLogP1.56
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine
CID 82553993
2-iodo-5-(piperazin-1-ylmethyl)pyrazine
CID 134601215
1-[(5-bromo-2-pyridinyl)methyl]-1,4-diazepane
CID 115741251
5-(piperazin-1-ylmethyl)pyrazin-2-amine
CID 117213222
4-methyl-6-(piperazin-1-ylmethyl)pyrimidin-2-amine
CID 82507434
1-[[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]methyl]piperazine
CID 84610406
1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine
CID 138459736
1-[(2-bromo-3-methylphenyl)methyl]piperazine
CID 83742586
1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 79002283
1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine
CID 117188331
1-[(4-ethoxy-2-pyridinyl)methyl]piperazine
CID 83890072
3-methyl-6-(piperazin-1-ylmethyl)pyridazine
CID 82604790

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine (CID 83903383) is 1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine is Cc1cc(CN2CCNCC2)ncc1Br.
What is the InChIKey of 1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine?
The InChIKey is IXXVQVLMDFHFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-9-6-10(14-7-11(9)12)8-15-4-2-13-3-5-15/h6-7,13H,2-5,8H2,1H3.
What are the key properties of 1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine?
1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine has a molecular weight of 270.17 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 83903383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).