1-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)piperazine

C13H20BrN3 — CID 55116545

IUPAC1-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(c2ncccc2Br)CC1
InChIInChI=1S/C13H20BrN3/c1-11(2)10-16-6-8-17(9-7-16)13-12(14)4-3-5-15-13/h3-5,11H,6-10H2,1-2H3
InChIKeyWVSZCXBVFZPKIX-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.62
Rot. Bonds3

About 1-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)piperazine

1-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)piperazine (PubChem CID 55116545) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)piperazine
PubChem CID55116545
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name1-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(c2ncccc2Br)CC1
InChIInChI=1S/C13H20BrN3/c1-11(2)10-16-6-8-17(9-7-16)13-12(14)4-3-5-15-13/h3-5,11H,6-10H2,1-2H3
InChIKeyWVSZCXBVFZPKIX-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-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

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)piperazine (CID 55116545) is 1-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)piperazine is CC(C)CN1CCN(c2ncccc2Br)CC1.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)piperazine?
The InChIKey is WVSZCXBVFZPKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-11(2)10-16-6-8-17(9-7-16)13-12(14)4-3-5-15-13/h3-5,11H,6-10H2,1-2H3.
What are the key properties of 1-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)piperazine?
1-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)piperazine has a molecular weight of 298.23 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 55116545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).