5-ethyl-5-methyl-1-(2-methyl-1-thiophen-2-ylpropyl)-2-propan-2-ylpiperazine

C18H32N2S — CID 64947262

IUPAC5-ethyl-5-methyl-1-(2-methyl-1-thiophen-2-ylpropyl)-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(C(c2cccs2)C(C)C)C(C(C)C)CN1
InChIInChI=1S/C18H32N2S/c1-7-18(6)12-20(15(11-19-18)13(2)3)17(14(4)5)16-9-8-10-21-16/h8-10,13-15,17,19H,7,11-12H2,1-6H3
InChIKeyQJQKXSKABMWUCM-UHFFFAOYSA-N
MW308.53 g/mol
LogP4.54
Rot. Bonds5

About 5-ethyl-5-methyl-1-(2-methyl-1-thiophen-2-ylpropyl)-2-propan-2-ylpiperazine

5-ethyl-5-methyl-1-(2-methyl-1-thiophen-2-ylpropyl)-2-propan-2-ylpiperazine (PubChem CID 64947262) has the molecular formula C18H32N2S and a molecular weight of 308.53 g/mol. Its IUPAC name is 5-ethyl-5-methyl-1-(2-methyl-1-thiophen-2-ylpropyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-5-methyl-1-(2-methyl-1-thiophen-2-ylpropyl)-2-propan-2-ylpiperazine
PubChem CID64947262
Molecular FormulaC18H32N2S
Molecular Weight308.53 g/mol
Exact Mass308.23
IUPAC Name5-ethyl-5-methyl-1-(2-methyl-1-thiophen-2-ylpropyl)-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(C(c2cccs2)C(C)C)C(C(C)C)CN1
InChIInChI=1S/C18H32N2S/c1-7-18(6)12-20(15(11-19-18)13(2)3)17(14(4)5)16-9-8-10-21-16/h8-10,13-15,17,19H,7,11-12H2,1-6H3
InChIKeyQJQKXSKABMWUCM-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-1-(2-methyl-1-thiophen-2-ylpropyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-5-methyl-1-(2-methyl-1-thiophen-2-ylpropyl)-2-propan-2-ylpiperazine (CID 64947262) is 5-ethyl-5-methyl-1-(2-methyl-1-thiophen-2-ylpropyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-5-methyl-1-(2-methyl-1-thiophen-2-ylpropyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-5-methyl-1-(2-methyl-1-thiophen-2-ylpropyl)-2-propan-2-ylpiperazine is CCC1(C)CN(C(c2cccs2)C(C)C)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-5-methyl-1-(2-methyl-1-thiophen-2-ylpropyl)-2-propan-2-ylpiperazine?
The InChIKey is QJQKXSKABMWUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-7-18(6)12-20(15(11-19-18)13(2)3)17(14(4)5)16-9-8-10-21-16/h8-10,13-15,17,19H,7,11-12H2,1-6H3.
What are the key properties of 5-ethyl-5-methyl-1-(2-methyl-1-thiophen-2-ylpropyl)-2-propan-2-ylpiperazine?
5-ethyl-5-methyl-1-(2-methyl-1-thiophen-2-ylpropyl)-2-propan-2-ylpiperazine has a molecular weight of 308.53 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-1-(2-methyl-1-thiophen-2-ylpropyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64947262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).