5-methyl-2-propan-2-yl-1-(1-thiophen-3-ylpropan-2-yl)piperazine

C15H26N2S — CID 64937748

IUPAC5-methyl-2-propan-2-yl-1-(1-thiophen-3-ylpropan-2-yl)piperazine
SMILESCC1CN(C(C)Cc2ccsc2)C(C(C)C)CN1
InChIInChI=1S/C15H26N2S/c1-11(2)15-8-16-12(3)9-17(15)13(4)7-14-5-6-18-10-14/h5-6,10-13,15-16H,7-9H2,1-4H3
InChIKeyIUXXCFHCKRVTJF-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.00
Rot. Bonds4

About 5-methyl-2-propan-2-yl-1-(1-thiophen-3-ylpropan-2-yl)piperazine

5-methyl-2-propan-2-yl-1-(1-thiophen-3-ylpropan-2-yl)piperazine (PubChem CID 64937748) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-1-(1-thiophen-3-ylpropan-2-yl)piperazine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-1-(1-thiophen-3-ylpropan-2-yl)piperazine
PubChem CID64937748
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name5-methyl-2-propan-2-yl-1-(1-thiophen-3-ylpropan-2-yl)piperazine
SMILESCC1CN(C(C)Cc2ccsc2)C(C(C)C)CN1
InChIInChI=1S/C15H26N2S/c1-11(2)15-8-16-12(3)9-17(15)13(4)7-14-5-6-18-10-14/h5-6,10-13,15-16H,7-9H2,1-4H3
InChIKeyIUXXCFHCKRVTJF-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-1-(1-thiophen-3-ylpropan-2-yl)piperazine?
The IUPAC name of 5-methyl-2-propan-2-yl-1-(1-thiophen-3-ylpropan-2-yl)piperazine (CID 64937748) is 5-methyl-2-propan-2-yl-1-(1-thiophen-3-ylpropan-2-yl)piperazine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-1-(1-thiophen-3-ylpropan-2-yl)piperazine?
The canonical SMILES for 5-methyl-2-propan-2-yl-1-(1-thiophen-3-ylpropan-2-yl)piperazine is CC1CN(C(C)Cc2ccsc2)C(C(C)C)CN1.
What is the InChIKey of 5-methyl-2-propan-2-yl-1-(1-thiophen-3-ylpropan-2-yl)piperazine?
The InChIKey is IUXXCFHCKRVTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-11(2)15-8-16-12(3)9-17(15)13(4)7-14-5-6-18-10-14/h5-6,10-13,15-16H,7-9H2,1-4H3.
What are the key properties of 5-methyl-2-propan-2-yl-1-(1-thiophen-3-ylpropan-2-yl)piperazine?
5-methyl-2-propan-2-yl-1-(1-thiophen-3-ylpropan-2-yl)piperazine has a molecular weight of 266.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-1-(1-thiophen-3-ylpropan-2-yl)piperazine is sourced from PubChem (CID 64937748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).