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

C14H16BrN3S — CID 2838302

IUPAC1-[(5-bromothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine
SMILESBrc1ccc(CN2CCN(c3ccccn3)CC2)s1
InChIInChI=1S/C14H16BrN3S/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
InChIKeyYBLRRRKATMWSKQ-UHFFFAOYSA-N
MW338.27 g/mol
LogP3.23
Rot. Bonds3

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

1-[(5-bromothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine (PubChem CID 2838302) has the molecular formula C14H16BrN3S and a molecular weight of 338.27 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine
PubChem CID2838302
Molecular FormulaC14H16BrN3S
Molecular Weight338.27 g/mol
Exact Mass337.02
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine
SMILESBrc1ccc(CN2CCN(c3ccccn3)CC2)s1
InChIInChI=1S/C14H16BrN3S/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
InChIKeyYBLRRRKATMWSKQ-UHFFFAOYSA-N
XLogP3.23
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine (CID 2838302) is 1-[(5-bromothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine is Brc1ccc(CN2CCN(c3ccccn3)CC2)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is YBLRRRKATMWSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3S/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-bromothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine?
1-[(5-bromothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 338.27 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 2838302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).