5-tert-butyl-2-cyclopropyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine

C17H28N2S — CID 64842067

IUPAC5-tert-butyl-2-cyclopropyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
SMILESCC(C)(C)C1CN(Cc2ccsc2)C(C)(C2CC2)CN1
InChIInChI=1S/C17H28N2S/c1-16(2,3)15-10-19(9-13-7-8-20-11-13)17(4,12-18-15)14-5-6-14/h7-8,11,14-15,18H,5-6,9-10,12H2,1-4H3
InChIKeyCRHFMQDPPWUCPX-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.74
Rot. Bonds3

About 5-tert-butyl-2-cyclopropyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine

5-tert-butyl-2-cyclopropyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine (PubChem CID 64842067) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 5-tert-butyl-2-cyclopropyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-cyclopropyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
PubChem CID64842067
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name5-tert-butyl-2-cyclopropyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
SMILESCC(C)(C)C1CN(Cc2ccsc2)C(C)(C2CC2)CN1
InChIInChI=1S/C17H28N2S/c1-16(2,3)15-10-19(9-13-7-8-20-11-13)17(4,12-18-15)14-5-6-14/h7-8,11,14-15,18H,5-6,9-10,12H2,1-4H3
InChIKeyCRHFMQDPPWUCPX-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-cyclopropyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine?
The IUPAC name of 5-tert-butyl-2-cyclopropyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine (CID 64842067) is 5-tert-butyl-2-cyclopropyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-cyclopropyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine?
The canonical SMILES for 5-tert-butyl-2-cyclopropyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine is CC(C)(C)C1CN(Cc2ccsc2)C(C)(C2CC2)CN1.
What is the InChIKey of 5-tert-butyl-2-cyclopropyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine?
The InChIKey is CRHFMQDPPWUCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-16(2,3)15-10-19(9-13-7-8-20-11-13)17(4,12-18-15)14-5-6-14/h7-8,11,14-15,18H,5-6,9-10,12H2,1-4H3.
What are the key properties of 5-tert-butyl-2-cyclopropyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine?
5-tert-butyl-2-cyclopropyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine has a molecular weight of 292.49 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-cyclopropyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine is sourced from PubChem (CID 64842067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).