1-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine

C15H25ClN2S — CID 106043817

IUPAC1-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(CCc2ccc(Cl)s2)C(C(C)C)CN1
InChIInChI=1S/C15H25ClN2S/c1-4-12-10-18(14(9-17-12)11(2)3)8-7-13-5-6-15(16)19-13/h5-6,11-12,14,17H,4,7-10H2,1-3H3
InChIKeyDLPQBKJLWYUWFU-UHFFFAOYSA-N
MW300.90 g/mol
LogP3.65
Rot. Bonds5

About 1-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine

1-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine (PubChem CID 106043817) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
PubChem CID106043817
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC Name1-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(CCc2ccc(Cl)s2)C(C(C)C)CN1
InChIInChI=1S/C15H25ClN2S/c1-4-12-10-18(14(9-17-12)11(2)3)8-7-13-5-6-15(16)19-13/h5-6,11-12,14,17H,4,7-10H2,1-3H3
InChIKeyDLPQBKJLWYUWFU-UHFFFAOYSA-N
XLogP3.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpiperazine
CID 114140136
1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-5-propylpiperazine
CID 106043841
1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine
CID 64838257
5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine
CID 64934070
5-ethyl-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64843674
5-ethyl-2-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine
CID 64843483
5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64842706
5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine
CID 102908491
5-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64946669
1-[(5-chloro-2-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 103050775
1-[2-(4-bromophenoxy)ethyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64840961
5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine
CID 64841740

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine (CID 106043817) is 1-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine is CCC1CN(CCc2ccc(Cl)s2)C(C(C)C)CN1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine?
The InChIKey is DLPQBKJLWYUWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2S/c1-4-12-10-18(14(9-17-12)11(2)3)8-7-13-5-6-15(16)19-13/h5-6,11-12,14,17H,4,7-10H2,1-3H3.
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine?
1-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine has a molecular weight of 300.90 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 106043817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).