1-[2-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperazine

C16H22N2O2 — CID 82264255

IUPAC1-[2-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperazine
SMILESCCOc1cccc2cc(CCN3CCNCC3)oc12
InChIInChI=1S/C16H22N2O2/c1-2-19-15-5-3-4-13-12-14(20-16(13)15)6-9-18-10-7-17-8-11-18/h3-5,12,17H,2,6-11H2,1H3
InChIKeyMABUROAUMUENCC-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.28
Rot. Bonds5

About 1-[2-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperazine

1-[2-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperazine (PubChem CID 82264255) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[2-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperazine
PubChem CID82264255
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[2-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperazine
SMILESCCOc1cccc2cc(CCN3CCNCC3)oc12
InChIInChI=1S/C16H22N2O2/c1-2-19-15-5-3-4-13-12-14(20-16(13)15)6-9-18-10-7-17-8-11-18/h3-5,12,17H,2,6-11H2,1H3
InChIKeyMABUROAUMUENCC-UHFFFAOYSA-N
XLogP2.28
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(7-ethoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 65440347
1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine
CID 115004527
1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine
CID 82263455
1-(7-ethoxy-1-benzofuran-2-yl)propan-2-ol
CID 82264246
1-[3-(2-ethoxyphenyl)propyl]-1,4-diazepane
CID 95468566
1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine
CID 95472670
1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine
CID 94693693
1-[2-(2-ethoxyphenoxy)ethyl]-1,4-diazepane;hydrochloride
CID 119906010
1-(8-ethoxynaphthalen-2-yl)piperazine
CID 22636200
1-[2-(3-tert-butyl-4-ethoxyphenyl)ethyl]piperazine
CID 82263880
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
2-ethoxy-4-(piperazin-1-ylmethyl)phenol
CID 54914762

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperazine (CID 82264255) is 1-[2-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperazine is CCOc1cccc2cc(CCN3CCNCC3)oc12.
What is the InChIKey of 1-[2-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperazine?
The InChIKey is MABUROAUMUENCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-19-15-5-3-4-13-12-14(20-16(13)15)6-9-18-10-7-17-8-11-18/h3-5,12,17H,2,6-11H2,1H3.
What are the key properties of 1-[2-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperazine?
1-[2-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperazine has a molecular weight of 274.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperazine is sourced from PubChem (CID 82264255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).