2-butan-2-yl-5-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine

C18H32N2S — CID 64849704

IUPAC2-butan-2-yl-5-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine
SMILESCCC(C)C1CNC(CC(C)C)CN1CCc1cccs1
InChIInChI=1S/C18H32N2S/c1-5-15(4)18-12-19-16(11-14(2)3)13-20(18)9-8-17-7-6-10-21-17/h6-7,10,14-16,18-19H,5,8-9,11-13H2,1-4H3
InChIKeyGLFIFOCJBHQMII-UHFFFAOYSA-N
MW308.53 g/mol
LogP4.03
Rot. Bonds7

About 2-butan-2-yl-5-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine

2-butan-2-yl-5-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine (PubChem CID 64849704) has the molecular formula C18H32N2S and a molecular weight of 308.53 g/mol. Its IUPAC name is 2-butan-2-yl-5-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine.

Molecular Properties

Compound Name2-butan-2-yl-5-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine
PubChem CID64849704
Molecular FormulaC18H32N2S
Molecular Weight308.53 g/mol
Exact Mass308.23
IUPAC Name2-butan-2-yl-5-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine
SMILESCCC(C)C1CNC(CC(C)C)CN1CCc1cccs1
InChIInChI=1S/C18H32N2S/c1-5-15(4)18-12-19-16(11-14(2)3)13-20(18)9-8-17-7-6-10-21-17/h6-7,10,14-16,18-19H,5,8-9,11-13H2,1-4H3
InChIKeyGLFIFOCJBHQMII-UHFFFAOYSA-N
XLogP4.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-yl-5-propyl-1-(thiophen-2-ylmethyl)piperazine
CID 64839947
2-butan-2-yl-5-(2-methylpropyl)-1-propylpiperazine
CID 64847775
5-butan-2-yl-2-cyclopropyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64848434
5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64849403
2-butan-2-yl-1,5-bis(2-methylpropyl)piperazine
CID 64847195
2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64850090
2-cyclopropyl-5-ethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64843303
5-ethyl-2-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine
CID 64843483
2-butan-2-yl-5-cyclopropyl-1-(thiophen-2-ylmethyl)piperazine
CID 64862427
2-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine
CID 64846847
2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine
CID 64848161
2-butan-2-yl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
CID 64848740

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine?
The IUPAC name of 2-butan-2-yl-5-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine (CID 64849704) is 2-butan-2-yl-5-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine.
What is the SMILES notation for 2-butan-2-yl-5-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine?
The canonical SMILES for 2-butan-2-yl-5-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine is CCC(C)C1CNC(CC(C)C)CN1CCc1cccs1.
What is the InChIKey of 2-butan-2-yl-5-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine?
The InChIKey is GLFIFOCJBHQMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-5-15(4)18-12-19-16(11-14(2)3)13-20(18)9-8-17-7-6-10-21-17/h6-7,10,14-16,18-19H,5,8-9,11-13H2,1-4H3.
What are the key properties of 2-butan-2-yl-5-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine?
2-butan-2-yl-5-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine has a molecular weight of 308.53 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine is sourced from PubChem (CID 64849704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).