2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine

C16H28N2S — CID 64941276

IUPAC2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
SMILESCCC1CN(C(C)Cc2ccc(C)s2)C(CC)CN1
InChIInChI=1S/C16H28N2S/c1-5-14-11-18(15(6-2)10-17-14)12(3)9-16-8-7-13(4)19-16/h7-8,12,14-15,17H,5-6,9-11H2,1-4H3
InChIKeyNESHHQVKNBBFSC-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.45
Rot. Bonds5

About 2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine

2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine (PubChem CID 64941276) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine.

Molecular Properties

Compound Name2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
PubChem CID64941276
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
SMILESCCC1CN(C(C)Cc2ccc(C)s2)C(CC)CN1
InChIInChI=1S/C16H28N2S/c1-5-14-11-18(15(6-2)10-17-14)12(3)9-16-8-7-13(4)19-16/h7-8,12,14-15,17H,5-6,9-11H2,1-4H3
InChIKeyNESHHQVKNBBFSC-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-(2-methylpropyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64941278
2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-propan-2-ylpiperazine
CID 64936688
5-butan-2-yl-2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64936876
3-ethyl-2-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79915981
2,5-diethyl-1-hexan-2-ylpiperazine
CID 64947739
1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-diethylpiperazine
CID 64977829
5-cyclopropyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-propan-2-ylpiperazine
CID 64940311
2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]-5-propylpiperazine
CID 64940976
2,5-diethyl-1-octan-2-ylpiperazine
CID 64946640
1-but-3-en-2-yl-2,5-diethylpiperazine
CID 64978837
3-(2,5-diethylpiperazin-1-yl)butanoic acid
CID 64979155
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-diethylpiperazine
CID 64948086

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine?
The IUPAC name of 2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine (CID 64941276) is 2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine.
What is the SMILES notation for 2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine?
The canonical SMILES for 2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine is CCC1CN(C(C)Cc2ccc(C)s2)C(CC)CN1.
What is the InChIKey of 2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine?
The InChIKey is NESHHQVKNBBFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-5-14-11-18(15(6-2)10-17-14)12(3)9-16-8-7-13(4)19-16/h7-8,12,14-15,17H,5-6,9-11H2,1-4H3.
What are the key properties of 2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine?
2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine has a molecular weight of 280.48 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine is sourced from PubChem (CID 64941276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).