1-(2-ethyl-1-benzofuran-6-yl)piperazine

C14H18N2O — CID 84726276

IUPAC1-(2-ethyl-1-benzofuran-6-yl)piperazine
SMILESCCc1cc2ccc(N3CCNCC3)cc2o1
InChIInChI=1S/C14H18N2O/c1-2-13-9-11-3-4-12(10-14(11)17-13)16-7-5-15-6-8-16/h3-4,9-10,15H,2,5-8H2,1H3
InChIKeyXFKHOGDQLMFBDD-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.40
Rot. Bonds2

About 1-(2-ethyl-1-benzofuran-6-yl)piperazine

1-(2-ethyl-1-benzofuran-6-yl)piperazine (PubChem CID 84726276) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(2-ethyl-1-benzofuran-6-yl)piperazine.

Molecular Properties

Compound Name1-(2-ethyl-1-benzofuran-6-yl)piperazine
PubChem CID84726276
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(2-ethyl-1-benzofuran-6-yl)piperazine
SMILESCCc1cc2ccc(N3CCNCC3)cc2o1
InChIInChI=1S/C14H18N2O/c1-2-13-9-11-3-4-12(10-14(11)17-13)16-7-5-15-6-8-16/h3-4,9-10,15H,2,5-8H2,1H3
InChIKeyXFKHOGDQLMFBDD-UHFFFAOYSA-N
XLogP2.40
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1-benzofuran-6-yl)piperazine
CID 82614048
3-(4-methyl-1,3-thiazol-2-yl)-7-piperazin-1-ylchromen-2-one
CID 71622539
3-(5-piperazin-1-yl-1-benzofuran-2-yl)propanoic acid
CID 174676765
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
2-butan-2-yl-5-piperazin-1-yl-1,3-benzoxazole
CID 82232894
3-(1,3-benzothiazol-2-yl)-7-piperazin-1-ylchromen-2-one
CID 71621990
2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole
CID 82232893
1-(3-ethylphenyl)piperazine;hydrochloride
CID 19911472
[2-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]methanamine
CID 117179209
1-(8-ethoxynaphthalen-2-yl)piperazine
CID 22636200
ethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide
CID 144805378
1-[4-(4-ethylphenyl)phenyl]piperazine
CID 82092038

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1-benzofuran-6-yl)piperazine?
The IUPAC name of 1-(2-ethyl-1-benzofuran-6-yl)piperazine (CID 84726276) is 1-(2-ethyl-1-benzofuran-6-yl)piperazine.
What is the SMILES notation for 1-(2-ethyl-1-benzofuran-6-yl)piperazine?
The canonical SMILES for 1-(2-ethyl-1-benzofuran-6-yl)piperazine is CCc1cc2ccc(N3CCNCC3)cc2o1.
What is the InChIKey of 1-(2-ethyl-1-benzofuran-6-yl)piperazine?
The InChIKey is XFKHOGDQLMFBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-13-9-11-3-4-12(10-14(11)17-13)16-7-5-15-6-8-16/h3-4,9-10,15H,2,5-8H2,1H3.
What are the key properties of 1-(2-ethyl-1-benzofuran-6-yl)piperazine?
1-(2-ethyl-1-benzofuran-6-yl)piperazine has a molecular weight of 230.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1-benzofuran-6-yl)piperazine is sourced from PubChem (CID 84726276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).