1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethyl-5,5-dimethylpiperazine

C18H28N2O — CID 65443260

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1CCc1ccc2c(c1)CCO2
InChIInChI=1S/C18H28N2O/c1-4-16-12-19-18(2,3)13-20(16)9-7-14-5-6-17-15(11-14)8-10-21-17/h5-6,11,16,19H,4,7-10,12-13H2,1-3H3
InChIKeyDFMZKJDAGNUXLT-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.63
Rot. Bonds4

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethyl-5,5-dimethylpiperazine

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethyl-5,5-dimethylpiperazine (PubChem CID 65443260) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethyl-5,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethyl-5,5-dimethylpiperazine
PubChem CID65443260
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1CCc1ccc2c(c1)CCO2
InChIInChI=1S/C18H28N2O/c1-4-16-12-19-18(2,3)13-20(16)9-7-14-5-6-17-15(11-14)8-10-21-17/h5-6,11,16,19H,4,7-10,12-13H2,1-3H3
InChIKeyDFMZKJDAGNUXLT-UHFFFAOYSA-N
XLogP2.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethyl-5-methylpiperazine
CID 65442076
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80506838
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylpiperazin-2-one
CID 65444415
1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 65444676
N-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 65446001
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methyl-1,4-diazepan-2-one
CID 65447258
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 106813163
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine-2,5-dione
CID 65442473
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-oxopiperazine-2-carboxylic acid
CID 107439653
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,6-dimethylpiperazine-2,5-dione
CID 65442474
4-(1-bromoethyl)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 106838375
4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 65445385

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethyl-5,5-dimethylpiperazine?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethyl-5,5-dimethylpiperazine (CID 65443260) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethyl-5,5-dimethylpiperazine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethyl-5,5-dimethylpiperazine?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethyl-5,5-dimethylpiperazine is CCC1CNC(C)(C)CN1CCc1ccc2c(c1)CCO2.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethyl-5,5-dimethylpiperazine?
The InChIKey is DFMZKJDAGNUXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-16-12-19-18(2,3)13-20(16)9-7-14-5-6-17-15(11-14)8-10-21-17/h5-6,11,16,19H,4,7-10,12-13H2,1-3H3.
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethyl-5,5-dimethylpiperazine?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethyl-5,5-dimethylpiperazine has a molecular weight of 288.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethyl-5,5-dimethylpiperazine is sourced from PubChem (CID 65443260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).