2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-propan-2-ylpiperazine

C17H30N2S — CID 64936688

IUPAC2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1C(C)Cc1ccc(C)s1
InChIInChI=1S/C17H30N2S/c1-6-15-10-18-17(12(2)3)11-19(15)13(4)9-16-8-7-14(5)20-16/h7-8,12-13,15,17-18H,6,9-11H2,1-5H3
InChIKeyFLQGVINWVVEQFG-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.70
Rot. Bonds5

About 2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-propan-2-ylpiperazine

2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-propan-2-ylpiperazine (PubChem CID 64936688) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-propan-2-ylpiperazine
PubChem CID64936688
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1C(C)Cc1ccc(C)s1
InChIInChI=1S/C17H30N2S/c1-6-15-10-18-17(12(2)3)11-19(15)13(4)9-16-8-7-14(5)20-16/h7-8,12-13,15,17-18H,6,9-11H2,1-5H3
InChIKeyFLQGVINWVVEQFG-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64936876
2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64941276
2-ethyl-5-(2-methylpropyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64941278
2-ethyl-1-(1-phenylpropan-2-yl)-5-propan-2-ylpiperazine
CID 64937812
1-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-propan-2-yl-1,4-diazepane
CID 64950824
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-ethyl-1-hexan-2-yl-5-propan-2-ylpiperazine
CID 64936630
5-cyclopropyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-propan-2-ylpiperazine
CID 64940311
2-ethyl-1-(1-methylsulfinylpropan-2-yl)-5-propan-2-ylpiperazine
CID 113486750
2-ethyl-5-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine
CID 64937948
2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine
CID 64936947
2-ethyl-5-propan-2-yl-1-thiophen-3-ylpiperazine
CID 66354997

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-propan-2-ylpiperazine?
The IUPAC name of 2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-propan-2-ylpiperazine (CID 64936688) is 2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-propan-2-ylpiperazine?
The canonical SMILES for 2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-propan-2-ylpiperazine is CCC1CNC(C(C)C)CN1C(C)Cc1ccc(C)s1.
What is the InChIKey of 2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-propan-2-ylpiperazine?
The InChIKey is FLQGVINWVVEQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-6-15-10-18-17(12(2)3)11-19(15)13(4)9-16-8-7-14(5)20-16/h7-8,12-13,15,17-18H,6,9-11H2,1-5H3.
What are the key properties of 2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-propan-2-ylpiperazine?
2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-propan-2-ylpiperazine has a molecular weight of 294.51 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-propan-2-ylpiperazine is sourced from PubChem (CID 64936688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).