1-[5-(bromomethyl)-2-pyridinyl]-4-pyridin-2-ylpiperazine

C15H17BrN4 — CID 107079304

IUPAC1-[5-(bromomethyl)-2-pyridinyl]-4-pyridin-2-ylpiperazine
SMILESBrCc1ccc(N2CCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C15H17BrN4/c16-11-13-4-5-15(18-12-13)20-9-7-19(8-10-20)14-3-1-2-6-17-14/h1-6,12H,7-11H2
InChIKeyHAQSNIXKMXVOCZ-UHFFFAOYSA-N
MW333.23 g/mol
LogP2.70
Rot. Bonds3

About 1-[5-(bromomethyl)-2-pyridinyl]-4-pyridin-2-ylpiperazine

1-[5-(bromomethyl)-2-pyridinyl]-4-pyridin-2-ylpiperazine (PubChem CID 107079304) has the molecular formula C15H17BrN4 and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-[5-(bromomethyl)-2-pyridinyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[5-(bromomethyl)-2-pyridinyl]-4-pyridin-2-ylpiperazine
PubChem CID107079304
Molecular FormulaC15H17BrN4
Molecular Weight333.23 g/mol
Exact Mass332.06
IUPAC Name1-[5-(bromomethyl)-2-pyridinyl]-4-pyridin-2-ylpiperazine
SMILESBrCc1ccc(N2CCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C15H17BrN4/c16-11-13-4-5-15(18-12-13)20-9-7-19(8-10-20)14-3-1-2-6-17-14/h1-6,12H,7-11H2
InChIKeyHAQSNIXKMXVOCZ-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-pyridin-2-ylpiperazine
CID 107079300
1-benzyl-4-[5-(bromomethyl)-2-pyridinyl]piperazine
CID 107079127
1-[5-(bromomethyl)-2-pyridinyl]-4-(4-fluorophenyl)piperazine
CID 107079265
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
2-(chloromethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine
CID 107373291
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
1-[5-bromo-2-(bromomethyl)phenyl]-4-pyridin-2-ylpiperazine
CID 107079309
1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 115773812
1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 65477740
N'-methyl-4-pyridin-2-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111219776
1-[5-(bromomethyl)-2-pyridinyl]-2,3-dihydroindole
CID 107079443

Frequently Asked Questions

What is the IUPAC name of 1-[5-(bromomethyl)-2-pyridinyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[5-(bromomethyl)-2-pyridinyl]-4-pyridin-2-ylpiperazine (CID 107079304) is 1-[5-(bromomethyl)-2-pyridinyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[5-(bromomethyl)-2-pyridinyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[5-(bromomethyl)-2-pyridinyl]-4-pyridin-2-ylpiperazine is BrCc1ccc(N2CCN(c3ccccn3)CC2)nc1.
What is the InChIKey of 1-[5-(bromomethyl)-2-pyridinyl]-4-pyridin-2-ylpiperazine?
The InChIKey is HAQSNIXKMXVOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4/c16-11-13-4-5-15(18-12-13)20-9-7-19(8-10-20)14-3-1-2-6-17-14/h1-6,12H,7-11H2.
What are the key properties of 1-[5-(bromomethyl)-2-pyridinyl]-4-pyridin-2-ylpiperazine?
1-[5-(bromomethyl)-2-pyridinyl]-4-pyridin-2-ylpiperazine has a molecular weight of 333.23 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(bromomethyl)-2-pyridinyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 107079304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).