5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine

C14H24N2S — CID 66354786

IUPAC5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine
SMILESCCC(C)C1CN(c2ccsc2)C(CC)CN1
InChIInChI=1S/C14H24N2S/c1-4-11(3)14-9-16(12(5-2)8-15-14)13-6-7-17-10-13/h6-7,10-12,14-15H,4-5,8-9H2,1-3H3
InChIKeyJKURAQHENGQWCF-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.35
Rot. Bonds4

About 5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine

5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine (PubChem CID 66354786) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine
PubChem CID66354786
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine
SMILESCCC(C)C1CN(c2ccsc2)C(CC)CN1
InChIInChI=1S/C14H24N2S/c1-4-11(3)14-9-16(12(5-2)8-15-14)13-6-7-17-10-13/h6-7,10-12,14-15H,4-5,8-9H2,1-3H3
InChIKeyJKURAQHENGQWCF-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-propan-2-yl-1-thiophen-3-ylpiperazine
CID 66354997
5-butan-2-yl-1-(2,3-dimethylphenyl)-2-ethylpiperazine
CID 64954497
5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine
CID 64937522
5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 64847641
2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine
CID 64936947
5-butan-2-yl-1-(4-chloro-2-iodophenyl)-2-ethylpiperazine
CID 107640020
5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64848030
1-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 64952670
5-butan-2-yl-2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64936876
2-ethyl-1-(3-ethylphenyl)-5-propan-2-ylpiperazine
CID 64953104
2-ethyl-1-(4-methoxyphenyl)-5-propan-2-ylpiperazine
CID 64954255
2,5-diethyl-5-methyl-1-thiophen-3-ylpiperazine
CID 66355426

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine?
The IUPAC name of 5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine (CID 66354786) is 5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine?
The canonical SMILES for 5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine is CCC(C)C1CN(c2ccsc2)C(CC)CN1.
What is the InChIKey of 5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine?
The InChIKey is JKURAQHENGQWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-11(3)14-9-16(12(5-2)8-15-14)13-6-7-17-10-13/h6-7,10-12,14-15H,4-5,8-9H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine?
5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine has a molecular weight of 252.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine is sourced from PubChem (CID 66354786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).