1-(5-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine

C13H20BrN3 — CID 115773969

IUPAC1-(5-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine
SMILESCCCN1CCN(c2cc(C)c(Br)cn2)CC1
InChIInChI=1S/C13H20BrN3/c1-3-4-16-5-7-17(8-6-16)13-9-11(2)12(14)10-15-13/h9-10H,3-8H2,1-2H3
InChIKeyVJYXMBXUNMUPBB-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.68
Rot. Bonds3

About 1-(5-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine

1-(5-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine (PubChem CID 115773969) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 1-(5-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine
PubChem CID115773969
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name1-(5-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine
SMILESCCCN1CCN(c2cc(C)c(Br)cn2)CC1
InChIInChI=1S/C13H20BrN3/c1-3-4-16-5-7-17(8-6-16)13-9-11(2)12(14)10-15-13/h9-10H,3-8H2,1-2H3
InChIKeyVJYXMBXUNMUPBB-UHFFFAOYSA-N
XLogP2.68
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

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
1-(5-bromo-4-methyl-2-pyridinyl)azepane
CID 53408181
2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 114869111
4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine
CID 115773933
1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 115773812
4-(5-bromo-4-methyl-2-pyridinyl)-1,4-thiazinane 1-oxide
CID 115774067
5-bromo-2-[4-(1-bromoethyl)piperidin-1-yl]-4-methylpyridine
CID 106838653
1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine
CID 115773799
3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 114868977
1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine
CID 114870227

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine?
The IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine (CID 115773969) is 1-(5-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine.
What is the SMILES notation for 1-(5-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine?
The canonical SMILES for 1-(5-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine is CCCN1CCN(c2cc(C)c(Br)cn2)CC1.
What is the InChIKey of 1-(5-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine?
The InChIKey is VJYXMBXUNMUPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-3-4-16-5-7-17(8-6-16)13-9-11(2)12(14)10-15-13/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine?
1-(5-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine has a molecular weight of 298.23 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine is sourced from PubChem (CID 115773969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).