1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine

C18H27NO2 — CID 12709388

IUPAC1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1OCC1COc2ccccc21
InChIInChI=1S/C18H27NO2/c1-17(2)10-7-11-18(3,4)19(17)21-13-14-12-20-16-9-6-5-8-15(14)16/h5-6,8-9,14H,7,10-13H2,1-4H3
InChIKeyKPBUNDYOCHPZNJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.14
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine

1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine (PubChem CID 12709388) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine
PubChem CID12709388
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1OCC1COc2ccccc21
InChIInChI=1S/C18H27NO2/c1-17(2)10-7-11-18(3,4)19(17)21-13-14-12-20-16-9-6-5-8-15(14)16/h5-6,8-9,14H,7,10-13H2,1-4H3
InChIKeyKPBUNDYOCHPZNJ-UHFFFAOYSA-N
XLogP4.14
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine (CID 12709388) is 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine is CC1(C)CCCC(C)(C)N1OCC1COc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine?
The InChIKey is KPBUNDYOCHPZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-17(2)10-7-11-18(3,4)19(17)21-13-14-12-20-16-9-6-5-8-15(14)16/h5-6,8-9,14H,7,10-13H2,1-4H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine?
1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine has a molecular weight of 289.42 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 12709388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).