4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanenitrile

C21H30N2O2 — CID 102100110

IUPAC4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanenitrile
SMILESCC1(C)CCCC(C)(C)N1OC(C#N)CCC1COc2ccccc21
InChIInChI=1S/C21H30N2O2/c1-20(2)12-7-13-21(3,4)23(20)25-17(14-22)11-10-16-15-24-19-9-6-5-8-18(16)19/h5-6,8-9,16-17H,7,10-13,15H2,1-4H3
InChIKeyVOFCHIBNRASXGR-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.81
Rot. Bonds5

About 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanenitrile

4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanenitrile (PubChem CID 102100110) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanenitrile.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanenitrile
PubChem CID102100110
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanenitrile
SMILESCC1(C)CCCC(C)(C)N1OC(C#N)CCC1COc2ccccc21
InChIInChI=1S/C21H30N2O2/c1-20(2)12-7-13-21(3,4)23(20)25-17(14-22)11-10-16-15-24-19-9-6-5-8-18(16)19/h5-6,8-9,16-17H,7,10-13,15H2,1-4H3
InChIKeyVOFCHIBNRASXGR-UHFFFAOYSA-N
XLogP4.81
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanenitrile with MolForge

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Related Compounds

3-(4-Methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanenitrile
CID 101430935
1-(2,3-Dihydrobenzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine
CID 12709388
4-[4-[(4-Ethoxycyclohexyl)-difluoromethoxy]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine
CID 134486565
1-(2,3-Dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine
CID 135031861
1-(2,3-Dihydro-1-benzofuran-3-ylmethoxy)-2,6-diethyl-2,3,6-trimethylpiperidine
CID 135031863
1-(2,3-Dihydro-1-benzofuran-3-ylmethoxy)-4-methoxy-2,2,6,6-tetramethylpiperidine
CID 135031864
1-(2,3-Dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-one
CID 135031865
1-(2,3-Dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-ol
CID 135031867
4-(1-Hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybenzene-1,2-dicarbonitrile
CID 146161397
1-(3-Phenyl-2,3-dihydrobenzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine
CID 12116356
N-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-methylpropan-2-amine
CID 12709387
1-[1-[4-(Cyclopropylmethoxy)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine
CID 23402952

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanenitrile?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanenitrile (CID 102100110) is 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanenitrile.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanenitrile?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanenitrile is CC1(C)CCCC(C)(C)N1OC(C#N)CCC1COc2ccccc21.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanenitrile?
The InChIKey is VOFCHIBNRASXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-20(2)12-7-13-21(3,4)23(20)25-17(14-22)11-10-16-15-24-19-9-6-5-8-18(16)19/h5-6,8-9,16-17H,7,10-13,15H2,1-4H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanenitrile?
4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanenitrile has a molecular weight of 342.48 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanenitrile is sourced from PubChem (CID 102100110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).