2-tert-butyl-5,5-diethyl-1-(2-thiophen-3-ylethyl)piperazine

C18H32N2S — CID 64860254

IUPAC2-tert-butyl-5,5-diethyl-1-(2-thiophen-3-ylethyl)piperazine
SMILESCCC1(CC)CN(CCc2ccsc2)C(C(C)(C)C)CN1
InChIInChI=1S/C18H32N2S/c1-6-18(7-2)14-20(10-8-15-9-11-21-13-15)16(12-19-18)17(3,4)5/h9,11,13,16,19H,6-8,10,12,14H2,1-5H3
InChIKeyDWBGEXDFHNWKSM-UHFFFAOYSA-N
MW308.53 g/mol
LogP4.17
Rot. Bonds5

About 2-tert-butyl-5,5-diethyl-1-(2-thiophen-3-ylethyl)piperazine

2-tert-butyl-5,5-diethyl-1-(2-thiophen-3-ylethyl)piperazine (PubChem CID 64860254) has the molecular formula C18H32N2S and a molecular weight of 308.53 g/mol. Its IUPAC name is 2-tert-butyl-5,5-diethyl-1-(2-thiophen-3-ylethyl)piperazine.

Molecular Properties

Compound Name2-tert-butyl-5,5-diethyl-1-(2-thiophen-3-ylethyl)piperazine
PubChem CID64860254
Molecular FormulaC18H32N2S
Molecular Weight308.53 g/mol
Exact Mass308.23
IUPAC Name2-tert-butyl-5,5-diethyl-1-(2-thiophen-3-ylethyl)piperazine
SMILESCCC1(CC)CN(CCc2ccsc2)C(C(C)(C)C)CN1
InChIInChI=1S/C18H32N2S/c1-6-18(7-2)14-20(10-8-15-9-11-21-13-15)16(12-19-18)17(3,4)5/h9,11,13,16,19H,6-8,10,12,14H2,1-5H3
InChIKeyDWBGEXDFHNWKSM-UHFFFAOYSA-N
XLogP4.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-ditert-butyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64840895
1-[(3-bromothiophen-2-yl)methyl]-2-tert-butyl-5,5-diethylpiperazine
CID 64859676
2-butan-2-yl-5-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64847544
5-cyclopropyl-2-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64875957
2-tert-butyl-5,5-diethyl-1-(pyridin-3-ylmethyl)piperazine
CID 64861984
8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64877949
2,5-ditert-butyl-1-(thiophen-3-ylmethyl)piperazine
CID 64842232
5,5-diethyl-2-methyl-1-thiophen-3-ylpiperazine
CID 66353525
8-(2-methylpropyl)-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64876228
8-tert-butyl-9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64878537
5,5-diethyl-1-(2-phenylethyl)-2-propylpiperazine
CID 64860235
2,5,5-triethyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 64860267

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,5-diethyl-1-(2-thiophen-3-ylethyl)piperazine?
The IUPAC name of 2-tert-butyl-5,5-diethyl-1-(2-thiophen-3-ylethyl)piperazine (CID 64860254) is 2-tert-butyl-5,5-diethyl-1-(2-thiophen-3-ylethyl)piperazine.
What is the SMILES notation for 2-tert-butyl-5,5-diethyl-1-(2-thiophen-3-ylethyl)piperazine?
The canonical SMILES for 2-tert-butyl-5,5-diethyl-1-(2-thiophen-3-ylethyl)piperazine is CCC1(CC)CN(CCc2ccsc2)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-5,5-diethyl-1-(2-thiophen-3-ylethyl)piperazine?
The InChIKey is DWBGEXDFHNWKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-6-18(7-2)14-20(10-8-15-9-11-21-13-15)16(12-19-18)17(3,4)5/h9,11,13,16,19H,6-8,10,12,14H2,1-5H3.
What are the key properties of 2-tert-butyl-5,5-diethyl-1-(2-thiophen-3-ylethyl)piperazine?
2-tert-butyl-5,5-diethyl-1-(2-thiophen-3-ylethyl)piperazine has a molecular weight of 308.53 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,5-diethyl-1-(2-thiophen-3-ylethyl)piperazine is sourced from PubChem (CID 64860254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).