1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-ethylpiperazine

C15H22N2S — CID 79221732

IUPAC1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-ethylpiperazine
SMILESCCC1CNCCN1CC1CSc2ccccc21
InChIInChI=1S/C15H22N2S/c1-2-13-9-16-7-8-17(13)10-12-11-18-15-6-4-3-5-14(12)15/h3-6,12-13,16H,2,7-11H2,1H3
InChIKeyQIAJMDMSLVSXIF-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.56
Rot. Bonds3

About 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-ethylpiperazine

1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-ethylpiperazine (PubChem CID 79221732) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-ethylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-ethylpiperazine
PubChem CID79221732
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-ethylpiperazine
SMILESCCC1CNCCN1CC1CSc2ccccc21
InChIInChI=1S/C15H22N2S/c1-2-13-9-16-7-8-17(13)10-12-11-18-15-6-4-3-5-14(12)15/h3-6,12-13,16H,2,7-11H2,1H3
InChIKeyQIAJMDMSLVSXIF-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylpiperazine
CID 79221731
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2-carboxamide
CID 79221431
[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-ethylpiperidin-2-yl]methanamine
CID 103353139
2-(bromomethyl)-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidine
CID 80668670
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 79220883
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-ethyl-5-methylpyrrolidine
CID 83218679
[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methanamine
CID 79220800
[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azepan-2-yl]methanol
CID 116637161
1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-one
CID 79538840
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methyl]propan-2-amine
CID 79214950
2-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 79221425
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methyl-1,4-diazepane
CID 79226076

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-ethylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-ethylpiperazine (CID 79221732) is 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-ethylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-ethylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-ethylpiperazine is CCC1CNCCN1CC1CSc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-ethylpiperazine?
The InChIKey is QIAJMDMSLVSXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-2-13-9-16-7-8-17(13)10-12-11-18-15-6-4-3-5-14(12)15/h3-6,12-13,16H,2,7-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-ethylpiperazine?
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-ethylpiperazine has a molecular weight of 262.42 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-ethylpiperazine is sourced from PubChem (CID 79221732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).