3-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine

C15H25BrN4 — CID 106875247

IUPAC3-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(c2nccc(C)c2Br)CC1
InChIInChI=1S/C15H25BrN4/c1-3-13(4-6-17)19-8-10-20(11-9-19)15-14(16)12(2)5-7-18-15/h5,7,13H,3-4,6,8-11,17H2,1-2H3
InChIKeyXXGWMNRZTFUYNI-UHFFFAOYSA-N
MW341.30 g/mol
LogP2.40
Rot. Bonds5

About 3-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine

3-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine (PubChem CID 106875247) has the molecular formula C15H25BrN4 and a molecular weight of 341.30 g/mol. Its IUPAC name is 3-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine
PubChem CID106875247
Molecular FormulaC15H25BrN4
Molecular Weight341.30 g/mol
Exact Mass340.13
IUPAC Name3-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(c2nccc(C)c2Br)CC1
InChIInChI=1S/C15H25BrN4/c1-3-13(4-6-17)19-8-10-20(11-9-19)15-14(16)12(2)5-7-18-15/h5,7,13H,3-4,6,8-11,17H2,1-2H3
InChIKeyXXGWMNRZTFUYNI-UHFFFAOYSA-N
XLogP2.40
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 61375225
2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 106875388
3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43367610
3-[4-(3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 60869702
4-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 106875241
3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 114868977
1-(3-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine
CID 106876419
3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-amine
CID 62785474
2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide
CID 102563458
[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine
CID 106876092
3-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]pentan-1-amine
CID 105368917
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 79713125

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 3-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine (CID 106875247) is 3-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 3-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 3-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine is CCC(CCN)N1CCN(c2nccc(C)c2Br)CC1.
What is the InChIKey of 3-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine?
The InChIKey is XXGWMNRZTFUYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4/c1-3-13(4-6-17)19-8-10-20(11-9-19)15-14(16)12(2)5-7-18-15/h5,7,13H,3-4,6,8-11,17H2,1-2H3.
What are the key properties of 3-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine?
3-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine has a molecular weight of 341.30 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 106875247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).