1-[2-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine

C16H24N2O — CID 117405680

IUPAC1-[2-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine
SMILESCC1(C)Cc2ccc(CCN3CCNCC3)cc2O1
InChIInChI=1S/C16H24N2O/c1-16(2)12-14-4-3-13(11-15(14)19-16)5-8-18-9-6-17-7-10-18/h3-4,11,17H,5-10,12H2,1-2H3
InChIKeyCBQKINMTLIQYLG-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.85
Rot. Bonds3

About 1-[2-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine

1-[2-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine (PubChem CID 117405680) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[2-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine
PubChem CID117405680
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[2-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine
SMILESCC1(C)Cc2ccc(CCN3CCNCC3)cc2O1
InChIInChI=1S/C16H24N2O/c1-16(2)12-14-4-3-13(11-15(14)19-16)5-8-18-9-6-17-7-10-18/h3-4,11,17H,5-10,12H2,1-2H3
InChIKeyCBQKINMTLIQYLG-UHFFFAOYSA-N
XLogP1.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethyl]piperazine
CID 117405682
1-[2-(2,2-dimethyl-1,3-benzoxathiol-6-yl)ethyl]piperazine
CID 117446768
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408
(2,2-dimethyl-3H-1-benzofuran-6-yl)methanamine
CID 82599528
1-[2-(3,4-dihydro-1H-isochromen-6-yl)ethyl]piperazine
CID 117368763
7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104784
1-[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride
CID 135314616
1-[2-(3,4-dihydro-1H-isochromen-7-yl)ethyl]piperazine
CID 117368764
1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine
CID 117294068
2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline
CID 117111789
1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
CID 82264462
6-[2-(azepan-1-yl)ethyl]-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine
CID 82261046

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine (CID 117405680) is 1-[2-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine is CC1(C)Cc2ccc(CCN3CCNCC3)cc2O1.
What is the InChIKey of 1-[2-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine?
The InChIKey is CBQKINMTLIQYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2)12-14-4-3-13(11-15(14)19-16)5-8-18-9-6-17-7-10-18/h3-4,11,17H,5-10,12H2,1-2H3.
What are the key properties of 1-[2-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine?
1-[2-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine has a molecular weight of 260.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine is sourced from PubChem (CID 117405680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).