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

C13H22N2S — CID 66354997

IUPAC2-ethyl-5-propan-2-yl-1-thiophen-3-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1c1ccsc1
InChIInChI=1S/C13H22N2S/c1-4-11-7-14-13(10(2)3)8-15(11)12-5-6-16-9-12/h5-6,9-11,13-14H,4,7-8H2,1-3H3
InChIKeyCZEHTRZRVZFDSR-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.96
Rot. Bonds3

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

2-ethyl-5-propan-2-yl-1-thiophen-3-ylpiperazine (PubChem CID 66354997) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-ethyl-5-propan-2-yl-1-thiophen-3-ylpiperazine.

Molecular Properties

Compound Name2-ethyl-5-propan-2-yl-1-thiophen-3-ylpiperazine
PubChem CID66354997
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-ethyl-5-propan-2-yl-1-thiophen-3-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1c1ccsc1
InChIInChI=1S/C13H22N2S/c1-4-11-7-14-13(10(2)3)8-15(11)12-5-6-16-9-12/h5-6,9-11,13-14H,4,7-8H2,1-3H3
InChIKeyCZEHTRZRVZFDSR-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine
CID 66354786
2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine
CID 64936947
1-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 64952670
2-ethyl-1-(4-methoxyphenyl)-5-propan-2-ylpiperazine
CID 64954255
2-ethyl-1-(3-ethylphenyl)-5-propan-2-ylpiperazine
CID 64953104
2-ethyl-5-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine
CID 64937128
2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine
CID 64952890
1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 66255306
5-methyl-2-propan-2-yl-1-thiophen-3-ylpiperazine
CID 66356270
2,5-diethyl-5-methyl-1-thiophen-3-ylpiperazine
CID 66355426
1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 81288854
2-ethyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64832516

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propan-2-yl-1-thiophen-3-ylpiperazine?
The IUPAC name of 2-ethyl-5-propan-2-yl-1-thiophen-3-ylpiperazine (CID 66354997) is 2-ethyl-5-propan-2-yl-1-thiophen-3-ylpiperazine.
What is the SMILES notation for 2-ethyl-5-propan-2-yl-1-thiophen-3-ylpiperazine?
The canonical SMILES for 2-ethyl-5-propan-2-yl-1-thiophen-3-ylpiperazine is CCC1CNC(C(C)C)CN1c1ccsc1.
What is the InChIKey of 2-ethyl-5-propan-2-yl-1-thiophen-3-ylpiperazine?
The InChIKey is CZEHTRZRVZFDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-11-7-14-13(10(2)3)8-15(11)12-5-6-16-9-12/h5-6,9-11,13-14H,4,7-8H2,1-3H3.
What are the key properties of 2-ethyl-5-propan-2-yl-1-thiophen-3-ylpiperazine?
2-ethyl-5-propan-2-yl-1-thiophen-3-ylpiperazine has a molecular weight of 238.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propan-2-yl-1-thiophen-3-ylpiperazine is sourced from PubChem (CID 66354997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).