2,5,5-triethyl-1-(2-thiophen-2-ylethyl)piperazine

C16H28N2S — CID 64862344

IUPAC2,5,5-triethyl-1-(2-thiophen-2-ylethyl)piperazine
SMILESCCC1CNC(CC)(CC)CN1CCc1cccs1
InChIInChI=1S/C16H28N2S/c1-4-14-12-17-16(5-2,6-3)13-18(14)10-9-15-8-7-11-19-15/h7-8,11,14,17H,4-6,9-10,12-13H2,1-3H3
InChIKeySKBHIPUCMKDWON-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.53
Rot. Bonds6

About 2,5,5-triethyl-1-(2-thiophen-2-ylethyl)piperazine

2,5,5-triethyl-1-(2-thiophen-2-ylethyl)piperazine (PubChem CID 64862344) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2,5,5-triethyl-1-(2-thiophen-2-ylethyl)piperazine.

Molecular Properties

Compound Name2,5,5-triethyl-1-(2-thiophen-2-ylethyl)piperazine
PubChem CID64862344
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2,5,5-triethyl-1-(2-thiophen-2-ylethyl)piperazine
SMILESCCC1CNC(CC)(CC)CN1CCc1cccs1
InChIInChI=1S/C16H28N2S/c1-4-14-12-17-16(5-2,6-3)13-18(14)10-9-15-8-7-11-19-15/h7-8,11,14,17H,4-6,9-10,12-13H2,1-3H3
InChIKeySKBHIPUCMKDWON-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64847174
8-ethyl-9-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64875635
1-[2-(cyclopenten-1-yl)ethyl]-2,5,5-triethylpiperazine
CID 106172740
3,3-diethyl-7-methyl-1-(thiophen-2-ylmethyl)-1,4-diazepane
CID 64871653
2,5,5-triethyl-1-(1-thiophen-2-ylbutyl)piperazine
CID 64946680
5,5-diethyl-1-(2-phenylethyl)-2-propylpiperazine
CID 64860235
2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine
CID 64861002
1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine
CID 114934626
2,5,5-triethyl-1-methylpiperazine
CID 64859654
8-tert-butyl-9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64878537
5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64878294
2,5,5-triethyl-1-(pyridin-2-ylmethyl)piperazine
CID 64861194

Frequently Asked Questions

What is the IUPAC name of 2,5,5-triethyl-1-(2-thiophen-2-ylethyl)piperazine?
The IUPAC name of 2,5,5-triethyl-1-(2-thiophen-2-ylethyl)piperazine (CID 64862344) is 2,5,5-triethyl-1-(2-thiophen-2-ylethyl)piperazine.
What is the SMILES notation for 2,5,5-triethyl-1-(2-thiophen-2-ylethyl)piperazine?
The canonical SMILES for 2,5,5-triethyl-1-(2-thiophen-2-ylethyl)piperazine is CCC1CNC(CC)(CC)CN1CCc1cccs1.
What is the InChIKey of 2,5,5-triethyl-1-(2-thiophen-2-ylethyl)piperazine?
The InChIKey is SKBHIPUCMKDWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-4-14-12-17-16(5-2,6-3)13-18(14)10-9-15-8-7-11-19-15/h7-8,11,14,17H,4-6,9-10,12-13H2,1-3H3.
What are the key properties of 2,5,5-triethyl-1-(2-thiophen-2-ylethyl)piperazine?
2,5,5-triethyl-1-(2-thiophen-2-ylethyl)piperazine has a molecular weight of 280.48 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-triethyl-1-(2-thiophen-2-ylethyl)piperazine is sourced from PubChem (CID 64862344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).