3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine

C15H26N2S — CID 64954403

IUPAC3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine
SMILESCCC(C)C1CN(C(C)Cc2cccs2)CCN1
InChIInChI=1S/C15H26N2S/c1-4-12(2)15-11-17(8-7-16-15)13(3)10-14-6-5-9-18-14/h5-6,9,12-13,15-16H,4,7-8,10-11H2,1-3H3
InChIKeyVUKQQSVLOVVQTN-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.00
Rot. Bonds5

About 3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine

3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine (PubChem CID 64954403) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine.

Molecular Properties

Compound Name3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine
PubChem CID64954403
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine
SMILESCCC(C)C1CN(C(C)Cc2cccs2)CCN1
InChIInChI=1S/C15H26N2S/c1-4-12(2)15-11-17(8-7-16-15)13(3)10-14-6-5-9-18-14/h5-6,9,12-13,15-16H,4,7-8,10-11H2,1-3H3
InChIKeyVUKQQSVLOVVQTN-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

3-butan-2-yl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine
CID 80527522
[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol
CID 64867112
N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 63292127
2-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine
CID 64930534
N,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
CID 55171951
5-butan-2-yl-2-cyclopropyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64848434
5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64849403
3,3-diethyl-1-(1-thiophen-2-ylpropan-2-yl)-1,4-diazepane
CID 64949211
3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]piperazine
CID 64831519
1-[1-(4-fluorophenyl)propan-2-yl]-3-propan-2-ylpiperazine
CID 64954587
2-methyl-N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63292083
3-butan-2-yl-1-(1-thiophen-3-ylethyl)-1,4-diazepane
CID 64950770

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine?
The IUPAC name of 3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine (CID 64954403) is 3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine.
What is the SMILES notation for 3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine?
The canonical SMILES for 3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine is CCC(C)C1CN(C(C)Cc2cccs2)CCN1.
What is the InChIKey of 3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine?
The InChIKey is VUKQQSVLOVVQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-4-12(2)15-11-17(8-7-16-15)13(3)10-14-6-5-9-18-14/h5-6,9,12-13,15-16H,4,7-8,10-11H2,1-3H3.
What are the key properties of 3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine?
3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine has a molecular weight of 266.45 g/mol, XLogP of 3.00, 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-(1-thiophen-2-ylpropan-2-yl)piperazine is sourced from PubChem (CID 64954403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).