5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine

C16H28N2S — CID 64848061

IUPAC5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine
SMILESCCC(C)C1CN(CCc2ccsc2)C(C)(C)CN1
InChIInChI=1S/C16H28N2S/c1-5-13(2)15-10-18(16(3,4)12-17-15)8-6-14-7-9-19-11-14/h7,9,11,13,15,17H,5-6,8,10,12H2,1-4H3
InChIKeyZSIUAWLPROAMLU-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.39
Rot. Bonds5

About 5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine

5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine (PubChem CID 64848061) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine
PubChem CID64848061
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine
SMILESCCC(C)C1CN(CCc2ccsc2)C(C)(C)CN1
InChIInChI=1S/C16H28N2S/c1-5-13(2)15-10-18(16(3,4)12-17-15)8-6-14-7-9-19-11-14/h7,9,11,13,15,17H,5-6,8,10,12H2,1-4H3
InChIKeyZSIUAWLPROAMLU-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine
CID 64838670
5-butan-2-yl-2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64847295
5-ethyl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64841192
5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine
CID 64849218
3-butan-2-yl-1-(2-thiophen-3-ylethyl)-1,4-diazepane
CID 64858412
3-butan-2-yl-7-methyl-1-(2-thiophen-3-ylethyl)-1,4-diazepane
CID 64869370
5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
CID 80696297
5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64848063
5-butan-2-yl-2,2-dimethyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64849215
5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine
CID 64848829
5-butan-2-yl-1,2,2-trimethylpiperazine
CID 64847098
5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 64847641

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine?
The IUPAC name of 5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine (CID 64848061) is 5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine is CCC(C)C1CN(CCc2ccsc2)C(C)(C)CN1.
What is the InChIKey of 5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine?
The InChIKey is ZSIUAWLPROAMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-5-13(2)15-10-18(16(3,4)12-17-15)8-6-14-7-9-19-11-14/h7,9,11,13,15,17H,5-6,8,10,12H2,1-4H3.
What are the key properties of 5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine?
5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine has a molecular weight of 280.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine is sourced from PubChem (CID 64848061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).