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

C16H27BrN2S — CID 64848806

IUPAC1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-propylpiperazine
SMILESCCCC1CNC(C(C)CC)CN1Cc1sccc1Br
InChIInChI=1S/C16H27BrN2S/c1-4-6-13-9-18-15(12(3)5-2)10-19(13)11-16-14(17)7-8-20-16/h7-8,12-13,15,18H,4-6,9-11H2,1-3H3
InChIKeyOKENKRWGVCHIBB-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.50
Rot. Bonds6

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

1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-propylpiperazine (PubChem CID 64848806) has the molecular formula C16H27BrN2S and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-propylpiperazine.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-propylpiperazine
PubChem CID64848806
Molecular FormulaC16H27BrN2S
Molecular Weight359.38 g/mol
Exact Mass358.11
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-propylpiperazine
SMILESCCCC1CNC(C(C)CC)CN1Cc1sccc1Br
InChIInChI=1S/C16H27BrN2S/c1-4-6-13-9-18-15(12(3)5-2)10-19(13)11-16-14(17)7-8-20-16/h7-8,12-13,15,18H,4-6,9-11H2,1-3H3
InChIKeyOKENKRWGVCHIBB-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.50
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-cyclopropylpiperazine
CID 64848627
1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-propylpiperazine
CID 64840856
5-butan-2-yl-1-[(4-iodophenyl)methyl]-2-propylpiperazine
CID 65490972
1-[(3-bromothiophen-2-yl)methyl]-3-butan-2-ylpiperazine
CID 64833095
1-[(3-bromothiophen-2-yl)methyl]-2-propylpiperazine
CID 64832145
1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 64850024
5-butan-2-yl-1-[(3-fluorophenyl)methyl]-2-propylpiperazine
CID 64848611
5-butan-2-yl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
CID 107055788
1-[(5-bromothiophen-2-yl)methyl]-5-propan-2-yl-2-propylpiperazine
CID 64832524
1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-(2-methylpropyl)piperazine
CID 64841646
2-benzyl-1-[(3-bromothiophen-2-yl)methyl]-5-methylpiperazine
CID 64844392

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-propylpiperazine?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-propylpiperazine (CID 64848806) is 1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-propylpiperazine.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-propylpiperazine?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-propylpiperazine is CCCC1CNC(C(C)CC)CN1Cc1sccc1Br.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-propylpiperazine?
The InChIKey is OKENKRWGVCHIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2S/c1-4-6-13-9-18-15(12(3)5-2)10-19(13)11-16-14(17)7-8-20-16/h7-8,12-13,15,18H,4-6,9-11H2,1-3H3.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-propylpiperazine?
1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-propylpiperazine has a molecular weight of 359.38 g/mol, XLogP of 4.50, 6 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-propylpiperazine is sourced from PubChem (CID 64848806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).