5-tert-butyl-1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylpiperazine

C18H28N2O — CID 64941260

IUPAC5-tert-butyl-1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylpiperazine
SMILESCCC1CNC(C(C)(C)C)CN1C1COc2ccccc21
InChIInChI=1S/C18H28N2O/c1-5-13-10-19-17(18(2,3)4)11-20(13)15-12-21-16-9-7-6-8-14(15)16/h6-9,13,15,17,19H,5,10-12H2,1-4H3
InChIKeyHOPLJHMCHVRNFU-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.22
Rot. Bonds2

About 5-tert-butyl-1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylpiperazine

5-tert-butyl-1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylpiperazine (PubChem CID 64941260) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 5-tert-butyl-1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylpiperazine
PubChem CID64941260
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name5-tert-butyl-1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylpiperazine
SMILESCCC1CNC(C(C)(C)C)CN1C1COc2ccccc21
InChIInChI=1S/C18H28N2O/c1-5-13-10-19-17(18(2,3)4)11-20(13)15-12-21-16-9-7-6-8-14(15)16/h6-9,13,15,17,19H,5,10-12H2,1-4H3
InChIKeyHOPLJHMCHVRNFU-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-5-propylpiperazine
CID 64942036
5-tert-butyl-2-ethyl-1-phenylpiperazine
CID 64932615
3-tert-butyl-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,4-diazepane
CID 79220372
5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine
CID 64931164
1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine
CID 64932917
5-tert-butyl-2-ethyl-1-(pyridin-2-ylmethyl)piperazine
CID 64842793
5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine
CID 107646420
4-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylaniline
CID 64933884
5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine
CID 64945887
5-tert-butyl-2-ethyl-1-[2-(methoxymethyl)phenyl]piperazine
CID 64948188
(3S)-3-tert-butyl-2,3-dihydro-1-benzofuran
CID 129157836
5-tert-butyl-1-pentan-3-yl-2-phenylpiperazine
CID 64931431

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylpiperazine?
The IUPAC name of 5-tert-butyl-1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylpiperazine (CID 64941260) is 5-tert-butyl-1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylpiperazine?
The canonical SMILES for 5-tert-butyl-1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylpiperazine is CCC1CNC(C(C)(C)C)CN1C1COc2ccccc21.
What is the InChIKey of 5-tert-butyl-1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylpiperazine?
The InChIKey is HOPLJHMCHVRNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-13-10-19-17(18(2,3)4)11-20(13)15-12-21-16-9-7-6-8-14(15)16/h6-9,13,15,17,19H,5,10-12H2,1-4H3.
What are the key properties of 5-tert-butyl-1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylpiperazine?
5-tert-butyl-1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylpiperazine has a molecular weight of 288.43 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylpiperazine is sourced from PubChem (CID 64941260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).