1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine

C14H22BrN3 — CID 115773841

IUPAC1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine
SMILESCc1cc(N2CCN(CC(C)C)CC2)ncc1Br
InChIInChI=1S/C14H22BrN3/c1-11(2)10-17-4-6-18(7-5-17)14-8-12(3)13(15)9-16-14/h8-9,11H,4-7,10H2,1-3H3
InChIKeyISTUXGOQZIYERZ-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.93
Rot. Bonds3

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

1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine (PubChem CID 115773841) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine
PubChem CID115773841
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC Name1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine
SMILESCc1cc(N2CCN(CC(C)C)CC2)ncc1Br
InChIInChI=1S/C14H22BrN3/c1-11(2)10-17-4-6-18(7-5-17)14-8-12(3)13(15)9-16-14/h8-9,11H,4-7,10H2,1-3H3
InChIKeyISTUXGOQZIYERZ-UHFFFAOYSA-N
XLogP2.93
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine 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

3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 114868973
1-(5-bromo-4-methyl-2-pyridinyl)-4-ethylpiperazine
CID 115773789
1-(5-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine
CID 115773969
2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 114869111
1-(5-bromo-4-methyl-2-pyridinyl)azepane
CID 53408181
5-bromo-2-[4-(1-bromoethyl)piperidin-1-yl]-4-methylpyridine
CID 106838653
4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine
CID 115773933
3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 114868977
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
2-methylpropyl 4-(5-bromo-4-methyl-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 133447740
1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine
CID 115773799

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine (CID 115773841) is 1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine is Cc1cc(N2CCN(CC(C)C)CC2)ncc1Br.
What is the InChIKey of 1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine?
The InChIKey is ISTUXGOQZIYERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-11(2)10-17-4-6-18(7-5-17)14-8-12(3)13(15)9-16-14/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine?
1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine has a molecular weight of 312.25 g/mol, XLogP of 2.93, 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-(2-methylpropyl)piperazine is sourced from PubChem (CID 115773841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).