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

C18H32N2S — CID 64941278

IUPAC2-ethyl-5-(2-methylpropyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
SMILESCCC1CNC(CC(C)C)CN1C(C)Cc1ccc(C)s1
InChIInChI=1S/C18H32N2S/c1-6-17-11-19-16(9-13(2)3)12-20(17)14(4)10-18-8-7-15(5)21-18/h7-8,13-14,16-17,19H,6,9-12H2,1-5H3
InChIKeyARPNLEVHBSGXGR-UHFFFAOYSA-N
MW308.53 g/mol
LogP4.09
Rot. Bonds6

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

2-ethyl-5-(2-methylpropyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine (PubChem CID 64941278) has the molecular formula C18H32N2S and a molecular weight of 308.53 g/mol. Its IUPAC name is 2-ethyl-5-(2-methylpropyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine.

Molecular Properties

Compound Name2-ethyl-5-(2-methylpropyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
PubChem CID64941278
Molecular FormulaC18H32N2S
Molecular Weight308.53 g/mol
Exact Mass308.23
IUPAC Name2-ethyl-5-(2-methylpropyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
SMILESCCC1CNC(CC(C)C)CN1C(C)Cc1ccc(C)s1
InChIInChI=1S/C18H32N2S/c1-6-17-11-19-16(9-13(2)3)12-20(17)14(4)10-18-8-7-15(5)21-18/h7-8,13-14,16-17,19H,6,9-12H2,1-5H3
InChIKeyARPNLEVHBSGXGR-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

2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64941276
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-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)piperazine
CID 64849112
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
1-but-3-en-2-yl-2,5-diethylpiperazine
CID 64978837
1-(1-cyclohexylpropyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64941532
2-ethyl-1-[(4-ethylphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64849498
2-ethyl-5-(2-methylpropyl)-1-(2,2,3,3-tetramethylcyclopropyl)piperazine
CID 79351246
2-ethyl-1-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64932153

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-methylpropyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine?
The IUPAC name of 2-ethyl-5-(2-methylpropyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine (CID 64941278) is 2-ethyl-5-(2-methylpropyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine.
What is the SMILES notation for 2-ethyl-5-(2-methylpropyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine?
The canonical SMILES for 2-ethyl-5-(2-methylpropyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine is CCC1CNC(CC(C)C)CN1C(C)Cc1ccc(C)s1.
What is the InChIKey of 2-ethyl-5-(2-methylpropyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine?
The InChIKey is ARPNLEVHBSGXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-6-17-11-19-16(9-13(2)3)12-20(17)14(4)10-18-8-7-15(5)21-18/h7-8,13-14,16-17,19H,6,9-12H2,1-5H3.
What are the key properties of 2-ethyl-5-(2-methylpropyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine?
2-ethyl-5-(2-methylpropyl)-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 2-ethyl-5-(2-methylpropyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine is sourced from PubChem (CID 64941278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).