1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine

C14H16BrN3S — CID 120754795

IUPAC1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine
SMILESBrc1cc(CN2CCNCC2c2cccnc2)cs1
InChIInChI=1S/C14H16BrN3S/c15-14-6-11(10-19-14)9-18-5-4-17-8-13(18)12-2-1-3-16-7-12/h1-3,6-7,10,13,17H,4-5,8-9H2
InChIKeySWJLMLXUKLRJLF-UHFFFAOYSA-N
MW338.27 g/mol
LogP3.05
Rot. Bonds3

About 1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine

1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine (PubChem CID 120754795) has the molecular formula C14H16BrN3S and a molecular weight of 338.27 g/mol. Its IUPAC name is 1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine
PubChem CID120754795
Molecular FormulaC14H16BrN3S
Molecular Weight338.27 g/mol
Exact Mass337.02
IUPAC Name1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine
SMILESBrc1cc(CN2CCNCC2c2cccnc2)cs1
InChIInChI=1S/C14H16BrN3S/c15-14-6-11(10-19-14)9-18-5-4-17-8-13(18)12-2-1-3-16-7-12/h1-3,6-7,10,13,17H,4-5,8-9H2
InChIKeySWJLMLXUKLRJLF-UHFFFAOYSA-N
XLogP3.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894
1-[(3-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768370
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
1-[(3-bromothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120755708
1-[(3-bromo-4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120767798
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094
1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120846434
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120768312
4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride
CID 120767683
2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine
CID 120768364

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine (CID 120754795) is 1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine is Brc1cc(CN2CCNCC2c2cccnc2)cs1.
What is the InChIKey of 1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine?
The InChIKey is SWJLMLXUKLRJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3S/c15-14-6-11(10-19-14)9-18-5-4-17-8-13(18)12-2-1-3-16-7-12/h1-3,6-7,10,13,17H,4-5,8-9H2.
What are the key properties of 1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine?
1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine has a molecular weight of 338.27 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120754795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).