1-[(5-bromofuran-2-yl)methyl]-4-pyridin-2-ylpiperazine

C14H16BrN3O — CID 764380

IUPAC1-[(5-bromofuran-2-yl)methyl]-4-pyridin-2-ylpiperazine
SMILESBrc1ccc(CN2CCN(c3ccccn3)CC2)o1
InChIInChI=1S/C14H16BrN3O/c15-13-5-4-12(19-13)11-17-7-9-18(10-8-17)14-3-1-2-6-16-14/h1-6H,7-11H2
InChIKeyHLRIZBSWWKNYMX-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.76
Rot. Bonds3

About 1-[(5-bromofuran-2-yl)methyl]-4-pyridin-2-ylpiperazine

1-[(5-bromofuran-2-yl)methyl]-4-pyridin-2-ylpiperazine (PubChem CID 764380) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-yl)methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[(5-bromofuran-2-yl)methyl]-4-pyridin-2-ylpiperazine
PubChem CID764380
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name1-[(5-bromofuran-2-yl)methyl]-4-pyridin-2-ylpiperazine
SMILESBrc1ccc(CN2CCN(c3ccccn3)CC2)o1
InChIInChI=1S/C14H16BrN3O/c15-13-5-4-12(19-13)11-17-7-9-18(10-8-17)14-3-1-2-6-16-14/h1-6H,7-11H2
InChIKeyHLRIZBSWWKNYMX-UHFFFAOYSA-N
XLogP2.76
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 65477740
4-chloro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]aniline
CID 79557493
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
1-[(2-methyloxiran-2-yl)methyl]-4-pyridin-2-ylpiperazine
CID 87852437
2-cyclopropyl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 47520575
1-pyridin-2-yl-4-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine
CID 11143376
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
1-pyridin-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane
CID 95811327
1-[(2-phenylphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 44756170

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-4-pyridin-2-ylpiperazine (CID 764380) is 1-[(5-bromofuran-2-yl)methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[(5-bromofuran-2-yl)methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[(5-bromofuran-2-yl)methyl]-4-pyridin-2-ylpiperazine is Brc1ccc(CN2CCN(c3ccccn3)CC2)o1.
What is the InChIKey of 1-[(5-bromofuran-2-yl)methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is HLRIZBSWWKNYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c15-13-5-4-12(19-13)11-17-7-9-18(10-8-17)14-3-1-2-6-16-14/h1-6H,7-11H2.
What are the key properties of 1-[(5-bromofuran-2-yl)methyl]-4-pyridin-2-ylpiperazine?
1-[(5-bromofuran-2-yl)methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 322.21 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-2-yl)methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 764380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).