2-butan-2-yl-5-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine

C17H30N2S — CID 64847544

IUPAC2-butan-2-yl-5-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine
SMILESCCC(C)C1CNC(C)(CC)CN1CCc1ccsc1
InChIInChI=1S/C17H30N2S/c1-5-14(3)16-11-18-17(4,6-2)13-19(16)9-7-15-8-10-20-12-15/h8,10,12,14,16,18H,5-7,9,11,13H2,1-4H3
InChIKeySIIJNMAIKPVRHL-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.78
Rot. Bonds6

About 2-butan-2-yl-5-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine

2-butan-2-yl-5-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine (PubChem CID 64847544) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 2-butan-2-yl-5-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine.

Molecular Properties

Compound Name2-butan-2-yl-5-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine
PubChem CID64847544
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name2-butan-2-yl-5-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine
SMILESCCC(C)C1CNC(C)(CC)CN1CCc1ccsc1
InChIInChI=1S/C17H30N2S/c1-5-14(3)16-11-18-17(4,6-2)13-19(16)9-7-15-8-10-20-12-15/h8,10,12,14,16,18H,5-7,9,11,13H2,1-4H3
InChIKeySIIJNMAIKPVRHL-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64877949
2-butan-2-yl-5-ethyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64847164
1-[(3-bromophenyl)methyl]-2-butan-2-yl-5-ethyl-5-methylpiperazine
CID 64847926
2-tert-butyl-5,5-diethyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64860254
5-cyclopropyl-2-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64875957
2-[2-(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64941574
5-butan-2-yl-2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64847295
5-ethyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64931798
5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64848061
3-butan-2-yl-7-methyl-1-(2-thiophen-3-ylethyl)-1,4-diazepane
CID 64869370
2-butan-2-yl-1-cycloheptyl-5-ethyl-5-methylpiperazine
CID 82936177
8-(2-methylpropyl)-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64876228

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine?
The IUPAC name of 2-butan-2-yl-5-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine (CID 64847544) is 2-butan-2-yl-5-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine.
What is the SMILES notation for 2-butan-2-yl-5-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine?
The canonical SMILES for 2-butan-2-yl-5-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine is CCC(C)C1CNC(C)(CC)CN1CCc1ccsc1.
What is the InChIKey of 2-butan-2-yl-5-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine?
The InChIKey is SIIJNMAIKPVRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-5-14(3)16-11-18-17(4,6-2)13-19(16)9-7-15-8-10-20-12-15/h8,10,12,14,16,18H,5-7,9,11,13H2,1-4H3.
What are the key properties of 2-butan-2-yl-5-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine?
2-butan-2-yl-5-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine has a molecular weight of 294.51 g/mol, XLogP of 3.78, 6 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-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine is sourced from PubChem (CID 64847544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).