3-butan-2-yl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine

C16H28N2S — CID 80527522

IUPAC3-butan-2-yl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine
SMILESCCC(C)C1CN(CC(C)(C)c2cccs2)CCN1
InChIInChI=1S/C16H28N2S/c1-5-13(2)14-11-18(9-8-17-14)12-16(3,4)15-7-6-10-19-15/h6-7,10,13-14,17H,5,8-9,11-12H2,1-4H3
InChIKeyNZVFAVVIDRJEKG-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.35
Rot. Bonds5

About 3-butan-2-yl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine

3-butan-2-yl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine (PubChem CID 80527522) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 3-butan-2-yl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine.

Molecular Properties

Compound Name3-butan-2-yl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine
PubChem CID80527522
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name3-butan-2-yl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine
SMILESCCC(C)C1CN(CC(C)(C)c2cccs2)CCN1
InChIInChI=1S/C16H28N2S/c1-5-13(2)14-11-18(9-8-17-14)12-16(3,4)15-7-6-10-19-15/h6-7,10,13-14,17H,5,8-9,11-12H2,1-4H3
InChIKeyNZVFAVVIDRJEKG-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-2-thiophen-2-ylpropyl)-3-propyl-1,4-diazepane
CID 80527693
3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine
CID 64954403
1-(2-methyl-2-thiophen-2-ylpropyl)-N-propan-2-ylpyrrolidin-3-amine
CID 80527692
1-[(3-bromothiophen-2-yl)methyl]-3-butan-2-ylpiperazine
CID 64833095
3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64831721
3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]piperazine
CID 64831519
1-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]pyridin-2-one
CID 82907056
3-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]piperazine
CID 64952957
N-ethyl-3-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 80527196
3-butan-2-yl-1-(3-methylbutyl)piperazine
CID 64833096
3-[(3-butan-2-ylpiperazin-1-yl)methyl]pyridazine
CID 106897929
4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline
CID 79232784

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine?
The IUPAC name of 3-butan-2-yl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine (CID 80527522) is 3-butan-2-yl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine.
What is the SMILES notation for 3-butan-2-yl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine?
The canonical SMILES for 3-butan-2-yl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine is CCC(C)C1CN(CC(C)(C)c2cccs2)CCN1.
What is the InChIKey of 3-butan-2-yl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine?
The InChIKey is NZVFAVVIDRJEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-5-13(2)14-11-18(9-8-17-14)12-16(3,4)15-7-6-10-19-15/h6-7,10,13-14,17H,5,8-9,11-12H2,1-4H3.
What are the key properties of 3-butan-2-yl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine?
3-butan-2-yl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine has a molecular weight of 280.48 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine is sourced from PubChem (CID 80527522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).