1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-cyclopropylpiperazine

C16H25BrN2S — CID 64848627

IUPAC1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-cyclopropylpiperazine
SMILESCCC(C)C1CN(Cc2sccc2Br)C(C2CC2)CN1
InChIInChI=1S/C16H25BrN2S/c1-3-11(2)14-9-19(10-16-13(17)6-7-20-16)15(8-18-14)12-4-5-12/h6-7,11-12,14-15,18H,3-5,8-10H2,1-2H3
InChIKeyQTKHGXPKAJXDTG-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.11
Rot. Bonds5

About 1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-cyclopropylpiperazine

1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-cyclopropylpiperazine (PubChem CID 64848627) has the molecular formula C16H25BrN2S and a molecular weight of 357.36 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-cyclopropylpiperazine.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-cyclopropylpiperazine
PubChem CID64848627
Molecular FormulaC16H25BrN2S
Molecular Weight357.36 g/mol
Exact Mass356.09
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-cyclopropylpiperazine
SMILESCCC(C)C1CN(Cc2sccc2Br)C(C2CC2)CN1
InChIInChI=1S/C16H25BrN2S/c1-3-11(2)14-9-19(10-16-13(17)6-7-20-16)15(8-18-14)12-4-5-12/h6-7,11-12,14-15,18H,3-5,8-10H2,1-2H3
InChIKeyQTKHGXPKAJXDTG-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromothiophen-2-yl)methyl]-2,5-di(butan-2-yl)piperazine
CID 64848042
1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-propylpiperazine
CID 64848806
1-[(3-bromothiophen-2-yl)methyl]-3-butan-2-ylpiperazine
CID 64833095
5-[(5-butan-2-yl-2-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644908
5-butan-2-yl-2-cyclopropyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64848434
5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine
CID 113474546
1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
CID 64838844
1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2-methylpiperazine
CID 64842685
5-butan-2-yl-2-cyclopropyl-1-propan-2-ylpiperazine
CID 64849015
5-butan-2-yl-2-cyclopropyl-1-(2-ethylhexyl)piperazine
CID 64847473
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-butan-2-yl-2-cyclopropylpiperazine
CID 79559224
1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-(2-methylpropyl)piperazine
CID 64841646

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-cyclopropylpiperazine?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-cyclopropylpiperazine (CID 64848627) is 1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-cyclopropylpiperazine.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-cyclopropylpiperazine?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-cyclopropylpiperazine is CCC(C)C1CN(Cc2sccc2Br)C(C2CC2)CN1.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-cyclopropylpiperazine?
The InChIKey is QTKHGXPKAJXDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2S/c1-3-11(2)14-9-19(10-16-13(17)6-7-20-16)15(8-18-14)12-4-5-12/h6-7,11-12,14-15,18H,3-5,8-10H2,1-2H3.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-cyclopropylpiperazine?
1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-cyclopropylpiperazine has a molecular weight of 357.36 g/mol, XLogP of 4.11, 5 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]-5-butan-2-yl-2-cyclopropylpiperazine is sourced from PubChem (CID 64848627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).