2-butan-2-yl-5-propyl-1-(thiophen-2-ylmethyl)piperazine

C16H28N2S — CID 64839947

IUPAC2-butan-2-yl-5-propyl-1-(thiophen-2-ylmethyl)piperazine
SMILESCCCC1CN(Cc2cccs2)C(C(C)CC)CN1
InChIInChI=1S/C16H28N2S/c1-4-7-14-11-18(12-15-8-6-9-19-15)16(10-17-14)13(3)5-2/h6,8-9,13-14,16-17H,4-5,7,10-12H2,1-3H3
InChIKeyALSKOGDJZWMUKO-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.74
Rot. Bonds6

About 2-butan-2-yl-5-propyl-1-(thiophen-2-ylmethyl)piperazine

2-butan-2-yl-5-propyl-1-(thiophen-2-ylmethyl)piperazine (PubChem CID 64839947) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-butan-2-yl-5-propyl-1-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name2-butan-2-yl-5-propyl-1-(thiophen-2-ylmethyl)piperazine
PubChem CID64839947
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2-butan-2-yl-5-propyl-1-(thiophen-2-ylmethyl)piperazine
SMILESCCCC1CN(Cc2cccs2)C(C(C)CC)CN1
InChIInChI=1S/C16H28N2S/c1-4-7-14-11-18(12-15-8-6-9-19-15)16(10-17-14)13(3)5-2/h6,8-9,13-14,16-17H,4-5,7,10-12H2,1-3H3
InChIKeyALSKOGDJZWMUKO-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine
CID 64843483
2-butan-2-yl-5-cyclopropyl-1-(thiophen-2-ylmethyl)piperazine
CID 64862427
2-butan-2-yl-5-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine
CID 64849704
7-methyl-3-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepane
CID 64870012
5-phenyl-2-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine
CID 64876116
5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644843
2-butan-2-yl-1-pentyl-5-propylpiperazine
CID 64839559
2-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propylpiperazine
CID 103016284
2-butan-2-yl-5-propyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64839560
1-[(2,6-dichlorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine
CID 64838193
2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine
CID 81114309
2-butan-2-yl-1-(oxan-4-ylmethyl)-5-propylpiperazine
CID 64840141

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-propyl-1-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 2-butan-2-yl-5-propyl-1-(thiophen-2-ylmethyl)piperazine (CID 64839947) is 2-butan-2-yl-5-propyl-1-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 2-butan-2-yl-5-propyl-1-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 2-butan-2-yl-5-propyl-1-(thiophen-2-ylmethyl)piperazine is CCCC1CN(Cc2cccs2)C(C(C)CC)CN1.
What is the InChIKey of 2-butan-2-yl-5-propyl-1-(thiophen-2-ylmethyl)piperazine?
The InChIKey is ALSKOGDJZWMUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-4-7-14-11-18(12-15-8-6-9-19-15)16(10-17-14)13(3)5-2/h6,8-9,13-14,16-17H,4-5,7,10-12H2,1-3H3.
What are the key properties of 2-butan-2-yl-5-propyl-1-(thiophen-2-ylmethyl)piperazine?
2-butan-2-yl-5-propyl-1-(thiophen-2-ylmethyl)piperazine has a molecular weight of 280.48 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-propyl-1-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 64839947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).