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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Related Compounds

3-tert-butyl-1-[1-(4-chlorophenyl)ethyl]piperazine
CID 64926136
2-(2-methyl-1-thiophen-2-ylpropyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939013
(3S)-3-tert-butyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 58665831
2-(2-methyl-1-thiophen-2-ylpropyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926162
3-tert-butyl-1-(thiophen-2-ylmethyl)-1,4-diazepane
CID 64872293
3-propyl-1-(1-thiophen-2-ylethyl)piperazine
CID 64925498
1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpiperazine
CID 65417458
3,3-diethyl-1-(2-methyl-1-thiophen-2-ylpropyl)-1,4-diazepane
CID 64944638
3-tert-butyl-1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperazine
CID 64952136
3-tert-butyl-1-[1-(2-chlorophenyl)ethyl]-1,4-diazepane
CID 64944023
2-propan-2-ylthiophene
CID 178128598
1-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984782

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).