3-tert-butyl-1-(2-methyl-1-thiophen-2-ylpropyl)piperazine

C16H28N2S — CID 64952508

IUPAC3-tert-butyl-1-(2-methyl-1-thiophen-2-ylpropyl)piperazine
SMILESCC(C)C(c1cccs1)N1CCNC(C(C)(C)C)C1
InChIInChI=1S/C16H28N2S/c1-12(2)15(13-7-6-10-19-13)18-9-8-17-14(11-18)16(3,4)5/h6-7,10,12,14-15,17H,8-9,11H2,1-5H3
InChIKeyYVBSLCHBLWQWSH-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.77
Rot. Bonds3

About 3-tert-butyl-1-(2-methyl-1-thiophen-2-ylpropyl)piperazine

3-tert-butyl-1-(2-methyl-1-thiophen-2-ylpropyl)piperazine (PubChem CID 64952508) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 3-tert-butyl-1-(2-methyl-1-thiophen-2-ylpropyl)piperazine.

Molecular Properties

Compound Name3-tert-butyl-1-(2-methyl-1-thiophen-2-ylpropyl)piperazine
PubChem CID64952508
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name3-tert-butyl-1-(2-methyl-1-thiophen-2-ylpropyl)piperazine
SMILESCC(C)C(c1cccs1)N1CCNC(C(C)(C)C)C1
InChIInChI=1S/C16H28N2S/c1-12(2)15(13-7-6-10-19-13)18-9-8-17-14(11-18)16(3,4)5/h6-7,10,12,14-15,17H,8-9,11H2,1-5H3
InChIKeyYVBSLCHBLWQWSH-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2-methyl-1-thiophen-2-ylpropyl)piperazine?
The IUPAC name of 3-tert-butyl-1-(2-methyl-1-thiophen-2-ylpropyl)piperazine (CID 64952508) is 3-tert-butyl-1-(2-methyl-1-thiophen-2-ylpropyl)piperazine.
What is the SMILES notation for 3-tert-butyl-1-(2-methyl-1-thiophen-2-ylpropyl)piperazine?
The canonical SMILES for 3-tert-butyl-1-(2-methyl-1-thiophen-2-ylpropyl)piperazine is CC(C)C(c1cccs1)N1CCNC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-(2-methyl-1-thiophen-2-ylpropyl)piperazine?
The InChIKey is YVBSLCHBLWQWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-12(2)15(13-7-6-10-19-13)18-9-8-17-14(11-18)16(3,4)5/h6-7,10,12,14-15,17H,8-9,11H2,1-5H3.
What are the key properties of 3-tert-butyl-1-(2-methyl-1-thiophen-2-ylpropyl)piperazine?
3-tert-butyl-1-(2-methyl-1-thiophen-2-ylpropyl)piperazine has a molecular weight of 280.48 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2-methyl-1-thiophen-2-ylpropyl)piperazine is sourced from PubChem (CID 64952508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).