2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine

C15H26N2S — CID 64838670

IUPAC2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine
SMILESCC(C)C1CN(CCc2ccsc2)C(C)(C)CN1
InChIInChI=1S/C15H26N2S/c1-12(2)14-9-17(15(3,4)11-16-14)7-5-13-6-8-18-10-13/h6,8,10,12,14,16H,5,7,9,11H2,1-4H3
InChIKeyGUJKIOMMNCZKHI-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.00
Rot. Bonds4

About 2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine

2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine (PubChem CID 64838670) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine.

Molecular Properties

Compound Name2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine
PubChem CID64838670
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine
SMILESCC(C)C1CN(CCc2ccsc2)C(C)(C)CN1
InChIInChI=1S/C15H26N2S/c1-12(2)14-9-17(15(3,4)11-16-14)7-5-13-6-8-18-10-13/h6,8,10,12,14,16H,5,7,9,11H2,1-4H3
InChIKeyGUJKIOMMNCZKHI-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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Related Compounds

5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64848061
5-ethyl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64841192
5-butan-2-yl-2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64847295
2,2-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine
CID 103016327
3-propan-2-yl-1-(2-thiophen-3-ylethyl)-1,4-diazepane
CID 64856486
(5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 129371290
1-decyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 64839450
2,2-dimethyl-1-(3-methylsulfonylpropyl)-5-propan-2-ylpiperazine
CID 64837894
1-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine
CID 64839645
5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine
CID 64862066
2,2-dimethyl-5-propan-2-yl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518832
5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine
CID 64849218

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine?
The IUPAC name of 2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine (CID 64838670) is 2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine.
What is the SMILES notation for 2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine?
The canonical SMILES for 2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine is CC(C)C1CN(CCc2ccsc2)C(C)(C)CN1.
What is the InChIKey of 2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine?
The InChIKey is GUJKIOMMNCZKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-12(2)14-9-17(15(3,4)11-16-14)7-5-13-6-8-18-10-13/h6,8,10,12,14,16H,5,7,9,11H2,1-4H3.
What are the key properties of 2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine?
2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)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 2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine is sourced from PubChem (CID 64838670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).