6-(2,3-dihydro-1-benzofuran-6-yl)-2,2-dimethylpiperazine

C14H20N2O — CID 82390274

IUPAC6-(2,3-dihydro-1-benzofuran-6-yl)-2,2-dimethylpiperazine
SMILESCC1(C)CNCC(c2ccc3c(c2)OCC3)N1
InChIInChI=1S/C14H20N2O/c1-14(2)9-15-8-12(16-14)11-4-3-10-5-6-17-13(10)7-11/h3-4,7,12,15-16H,5-6,8-9H2,1-2H3
InChIKeyHHXJKEOMRFRGTD-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.63
Rot. Bonds1

About 6-(2,3-dihydro-1-benzofuran-6-yl)-2,2-dimethylpiperazine

6-(2,3-dihydro-1-benzofuran-6-yl)-2,2-dimethylpiperazine (PubChem CID 82390274) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-(2,3-dihydro-1-benzofuran-6-yl)-2,2-dimethylpiperazine.

Molecular Properties

Compound Name6-(2,3-dihydro-1-benzofuran-6-yl)-2,2-dimethylpiperazine
PubChem CID82390274
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name6-(2,3-dihydro-1-benzofuran-6-yl)-2,2-dimethylpiperazine
SMILESCC1(C)CNCC(c2ccc3c(c2)OCC3)N1
InChIInChI=1S/C14H20N2O/c1-14(2)9-15-8-12(16-14)11-4-3-10-5-6-17-13(10)7-11/h3-4,7,12,15-16H,5-6,8-9H2,1-2H3
InChIKeyHHXJKEOMRFRGTD-UHFFFAOYSA-N
XLogP1.63
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1-benzofuran-6-yl)-2,2-dimethylpiperazine?
The IUPAC name of 6-(2,3-dihydro-1-benzofuran-6-yl)-2,2-dimethylpiperazine (CID 82390274) is 6-(2,3-dihydro-1-benzofuran-6-yl)-2,2-dimethylpiperazine.
What is the SMILES notation for 6-(2,3-dihydro-1-benzofuran-6-yl)-2,2-dimethylpiperazine?
The canonical SMILES for 6-(2,3-dihydro-1-benzofuran-6-yl)-2,2-dimethylpiperazine is CC1(C)CNCC(c2ccc3c(c2)OCC3)N1.
What is the InChIKey of 6-(2,3-dihydro-1-benzofuran-6-yl)-2,2-dimethylpiperazine?
The InChIKey is HHXJKEOMRFRGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2)9-15-8-12(16-14)11-4-3-10-5-6-17-13(10)7-11/h3-4,7,12,15-16H,5-6,8-9H2,1-2H3.
What are the key properties of 6-(2,3-dihydro-1-benzofuran-6-yl)-2,2-dimethylpiperazine?
6-(2,3-dihydro-1-benzofuran-6-yl)-2,2-dimethylpiperazine has a molecular weight of 232.33 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1-benzofuran-6-yl)-2,2-dimethylpiperazine is sourced from PubChem (CID 82390274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).