1-(2-bromoethyl)-4-pyridin-2-ylpiperazine

C11H16BrN3 — CID 61288555

IUPAC1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
SMILESBrCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C11H16BrN3/c12-4-6-14-7-9-15(10-8-14)11-3-1-2-5-13-11/h1-3,5H,4,6-10H2
InChIKeyPFFVBBHBIKPAGH-UHFFFAOYSA-N
MW270.17 g/mol
LogP1.60
Rot. Bonds3

About 1-(2-bromoethyl)-4-pyridin-2-ylpiperazine

1-(2-bromoethyl)-4-pyridin-2-ylpiperazine (PubChem CID 61288555) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
PubChem CID61288555
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
SMILESBrCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C11H16BrN3/c12-4-6-14-7-9-15(10-8-14)11-3-1-2-5-13-11/h1-3,5H,4,6-10H2
InChIKeyPFFVBBHBIKPAGH-UHFFFAOYSA-N
XLogP1.60
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline
CID 60860602
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
1-[(5-bromofuran-2-yl)methyl]-4-pyridin-2-ylpiperazine
CID 764380
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide
CID 24690721
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
1-[5-(bromomethyl)-2-pyridinyl]-4-pyridin-2-ylpiperazine
CID 107079304

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(2-bromoethyl)-4-pyridin-2-ylpiperazine (CID 61288555) is 1-(2-bromoethyl)-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(2-bromoethyl)-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(2-bromoethyl)-4-pyridin-2-ylpiperazine is BrCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(2-bromoethyl)-4-pyridin-2-ylpiperazine?
The InChIKey is PFFVBBHBIKPAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c12-4-6-14-7-9-15(10-8-14)11-3-1-2-5-13-11/h1-3,5H,4,6-10H2.
What are the key properties of 1-(2-bromoethyl)-4-pyridin-2-ylpiperazine?
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine has a molecular weight of 270.17 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 61288555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).