3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine

C15H25BrN4 — CID 114868977

IUPAC3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(c2cc(C)c(Br)cn2)CC1
InChIInChI=1S/C15H25BrN4/c1-3-13(4-5-17)19-6-8-20(9-7-19)15-10-12(2)14(16)11-18-15/h10-11,13H,3-9,17H2,1-2H3
InChIKeyBASZOHYIADEDKY-UHFFFAOYSA-N
MW341.30 g/mol
LogP2.40
Rot. Bonds5

About 3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine

3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine (PubChem CID 114868977) has the molecular formula C15H25BrN4 and a molecular weight of 341.30 g/mol. Its IUPAC name is 3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine
PubChem CID114868977
Molecular FormulaC15H25BrN4
Molecular Weight341.30 g/mol
Exact Mass340.13
IUPAC Name3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(c2cc(C)c(Br)cn2)CC1
InChIInChI=1S/C15H25BrN4/c1-3-13(4-5-17)19-6-8-20(9-7-19)15-10-12(2)14(16)11-18-15/h10-11,13H,3-9,17H2,1-2H3
InChIKeyBASZOHYIADEDKY-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

Analyze 3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-4-methyl-2-pyridinyl)-4-ethylpiperazine
CID 115773789
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
3-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 106875247
3-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 61375225
1-(5-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine
CID 115773969
1-(5-bromo-4-methyl-2-pyridinyl)azepane
CID 53408181
3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43367610
6-(4-butan-2-ylpiperazin-1-yl)-4-methylpyridin-3-amine
CID 79176414
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 55203317
3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-amine
CID 62785474
5-bromo-2-[4-(1-bromoethyl)piperidin-1-yl]-4-methylpyridine
CID 106838653

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine (CID 114868977) is 3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine is CCC(CCN)N1CCN(c2cc(C)c(Br)cn2)CC1.
What is the InChIKey of 3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine?
The InChIKey is BASZOHYIADEDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4/c1-3-13(4-5-17)19-6-8-20(9-7-19)15-10-12(2)14(16)11-18-15/h10-11,13H,3-9,17H2,1-2H3.
What are the key properties of 3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine?
3-[4-(5-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-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 114868977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).