1-[(3-bromothiophen-2-yl)methyl]-2-propylpiperazine

C12H19BrN2S — CID 64832145

IUPAC1-[(3-bromothiophen-2-yl)methyl]-2-propylpiperazine
SMILESCCCC1CNCCN1Cc1sccc1Br
InChIInChI=1S/C12H19BrN2S/c1-2-3-10-8-14-5-6-15(10)9-12-11(13)4-7-16-12/h4,7,10,14H,2-3,5-6,8-9H2,1H3
InChIKeyIAHQUCFOTDEBEY-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.08
Rot. Bonds4

About 1-[(3-bromothiophen-2-yl)methyl]-2-propylpiperazine

1-[(3-bromothiophen-2-yl)methyl]-2-propylpiperazine (PubChem CID 64832145) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-2-propylpiperazine.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-2-propylpiperazine
PubChem CID64832145
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-2-propylpiperazine
SMILESCCCC1CNCCN1Cc1sccc1Br
InChIInChI=1S/C12H19BrN2S/c1-2-3-10-8-14-5-6-15(10)9-12-11(13)4-7-16-12/h4,7,10,14H,2-3,5-6,8-9H2,1H3
InChIKeyIAHQUCFOTDEBEY-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-propylpiperazine
CID 64840856
1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 64850024
1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-propylpiperazine
CID 64848806
2-propyl-1-(pyridin-4-ylmethyl)piperazine
CID 64832934
1-[(3-bromothiophen-2-yl)methyl]-2-ethylazepane
CID 104691377
1-[(3-bromothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120755708
4-[(3-bromothiophen-2-yl)methyl]-3-ethylmorpholine
CID 55208223
1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2-methylpiperazine
CID 64842685
1-(naphthalen-1-ylmethyl)-2-propylpiperazine
CID 64832736
2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine
CID 64832933
1-[(2,3-dichlorophenyl)methyl]-2-propylpiperazine
CID 107310434
6-fluoro-2-[(2-propylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 120843834

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-2-propylpiperazine?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-2-propylpiperazine (CID 64832145) is 1-[(3-bromothiophen-2-yl)methyl]-2-propylpiperazine.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-2-propylpiperazine?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-2-propylpiperazine is CCCC1CNCCN1Cc1sccc1Br.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-2-propylpiperazine?
The InChIKey is IAHQUCFOTDEBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-2-3-10-8-14-5-6-15(10)9-12-11(13)4-7-16-12/h4,7,10,14H,2-3,5-6,8-9H2,1H3.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-2-propylpiperazine?
1-[(3-bromothiophen-2-yl)methyl]-2-propylpiperazine has a molecular weight of 303.27 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-2-propylpiperazine is sourced from PubChem (CID 64832145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).