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

C18H32N2S — CID 64936876

IUPAC5-butan-2-yl-2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
SMILESCCC(C)C1CN(C(C)Cc2ccc(C)s2)C(CC)CN1
InChIInChI=1S/C18H32N2S/c1-6-13(3)18-12-20(16(7-2)11-19-18)14(4)10-17-9-8-15(5)21-17/h8-9,13-14,16,18-19H,6-7,10-12H2,1-5H3
InChIKeyBHKOFEYNKSUSMZ-UHFFFAOYSA-N
MW308.53 g/mol
LogP4.09
Rot. Bonds6

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

5-butan-2-yl-2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine (PubChem CID 64936876) has the molecular formula C18H32N2S and a molecular weight of 308.53 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
PubChem CID64936876
Molecular FormulaC18H32N2S
Molecular Weight308.53 g/mol
Exact Mass308.23
IUPAC Name5-butan-2-yl-2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
SMILESCCC(C)C1CN(C(C)Cc2ccc(C)s2)C(CC)CN1
InChIInChI=1S/C18H32N2S/c1-6-13(3)18-12-20(16(7-2)11-19-18)14(4)10-17-9-8-15(5)21-17/h8-9,13-14,16,18-19H,6-7,10-12H2,1-5H3
InChIKeyBHKOFEYNKSUSMZ-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-propan-2-ylpiperazine
CID 64936688
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
5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine
CID 64936824
5-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpiperazine
CID 64937010
2-ethyl-1-(1-phenylpropan-2-yl)-5-propan-2-ylpiperazine
CID 64937812
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
3-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]piperazine
CID 64952957
2-[1-(5-butan-2-yl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64936501
5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine
CID 64850155
5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine
CID 66354786
5-cyclopropyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-propan-2-ylpiperazine
CID 64940311

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine?
The IUPAC name of 5-butan-2-yl-2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine (CID 64936876) is 5-butan-2-yl-2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine?
The canonical SMILES for 5-butan-2-yl-2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine is CCC(C)C1CN(C(C)Cc2ccc(C)s2)C(CC)CN1.
What is the InChIKey of 5-butan-2-yl-2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine?
The InChIKey is BHKOFEYNKSUSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-6-13(3)18-12-20(16(7-2)11-19-18)14(4)10-17-9-8-15(5)21-17/h8-9,13-14,16,18-19H,6-7,10-12H2,1-5H3.
What are the key properties of 5-butan-2-yl-2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine?
5-butan-2-yl-2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine has a molecular weight of 308.53 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine is sourced from PubChem (CID 64936876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).