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

C17H28N2S — CID 64848434

IUPAC5-butan-2-yl-2-cyclopropyl-1-(2-thiophen-2-ylethyl)piperazine
SMILESCCC(C)C1CN(CCc2cccs2)C(C2CC2)CN1
InChIInChI=1S/C17H28N2S/c1-3-13(2)16-12-19(9-8-15-5-4-10-20-15)17(11-18-16)14-6-7-14/h4-5,10,13-14,16-18H,3,6-9,11-12H2,1-2H3
InChIKeyQGCCCQZNTUWGME-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.39
Rot. Bonds6

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

5-butan-2-yl-2-cyclopropyl-1-(2-thiophen-2-ylethyl)piperazine (PubChem CID 64848434) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 5-butan-2-yl-2-cyclopropyl-1-(2-thiophen-2-ylethyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-cyclopropyl-1-(2-thiophen-2-ylethyl)piperazine
PubChem CID64848434
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name5-butan-2-yl-2-cyclopropyl-1-(2-thiophen-2-ylethyl)piperazine
SMILESCCC(C)C1CN(CCc2cccs2)C(C2CC2)CN1
InChIInChI=1S/C17H28N2S/c1-3-13(2)16-12-19(9-8-15-5-4-10-20-15)17(11-18-16)14-6-7-14/h4-5,10,13-14,16-18H,3,6-9,11-12H2,1-2H3
InChIKeyQGCCCQZNTUWGME-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64849403
2-cyclopropyl-5-ethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64843303
2,5-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64859740
1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-cyclopropylpiperazine
CID 64848627
5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine
CID 113474546
5-[(5-butan-2-yl-2-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644908
2-butan-2-yl-5-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine
CID 64849704
2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64847174
2-butan-2-yl-5-cyclopropyl-1-(thiophen-2-ylmethyl)piperazine
CID 64862427
2-cyclopropyl-1-(3-phenylpropyl)-5-propan-2-ylpiperazine
CID 64839240
5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine
CID 103414273
3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine
CID 64954403

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-cyclopropyl-1-(2-thiophen-2-ylethyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-cyclopropyl-1-(2-thiophen-2-ylethyl)piperazine (CID 64848434) is 5-butan-2-yl-2-cyclopropyl-1-(2-thiophen-2-ylethyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-cyclopropyl-1-(2-thiophen-2-ylethyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-cyclopropyl-1-(2-thiophen-2-ylethyl)piperazine is CCC(C)C1CN(CCc2cccs2)C(C2CC2)CN1.
What is the InChIKey of 5-butan-2-yl-2-cyclopropyl-1-(2-thiophen-2-ylethyl)piperazine?
The InChIKey is QGCCCQZNTUWGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-3-13(2)16-12-19(9-8-15-5-4-10-20-15)17(11-18-16)14-6-7-14/h4-5,10,13-14,16-18H,3,6-9,11-12H2,1-2H3.
What are the key properties of 5-butan-2-yl-2-cyclopropyl-1-(2-thiophen-2-ylethyl)piperazine?
5-butan-2-yl-2-cyclopropyl-1-(2-thiophen-2-ylethyl)piperazine has a molecular weight of 292.49 g/mol, XLogP of 3.39, 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-cyclopropyl-1-(2-thiophen-2-ylethyl)piperazine is sourced from PubChem (CID 64848434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).