4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybenzene-1,2-dicarbonitrile

C17H21N3O2 — CID 146161397

IUPAC4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybenzene-1,2-dicarbonitrile
SMILESCC1(C)CC(Oc2ccc(C#N)c(C#N)c2)CC(C)(C)N1O
InChIInChI=1S/C17H21N3O2/c1-16(2)8-15(9-17(3,4)20(16)21)22-14-6-5-12(10-18)13(7-14)11-19/h5-7,15,21H,8-9H2,1-4H3
InChIKeyMYDHYFWYGFPXAA-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.22
Rot. Bonds2

About 4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybenzene-1,2-dicarbonitrile

4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybenzene-1,2-dicarbonitrile (PubChem CID 146161397) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybenzene-1,2-dicarbonitrile
PubChem CID146161397
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybenzene-1,2-dicarbonitrile
SMILESCC1(C)CC(Oc2ccc(C#N)c(C#N)c2)CC(C)(C)N1O
InChIInChI=1S/C17H21N3O2/c1-16(2)8-15(9-17(3,4)20(16)21)22-14-6-5-12(10-18)13(7-14)11-19/h5-7,15,21H,8-9H2,1-4H3
InChIKeyMYDHYFWYGFPXAA-UHFFFAOYSA-N
XLogP3.22
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-Butan-2-ylpiperidin-4-yl)oxybenzonitrile
CID 9965041
3-(4-Methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanenitrile
CID 101430935
4-(3-Piperidin-1-yl-propoxy)-2-trifluoromethyl-benzonitrile
CID 17986273
2-[4-[1-[(2-Methylpropan-2-yl)oxy]-2-(oxomethylidene)piperidin-4-yl]oxy-2-(trifluoromethyl)phenyl]acetonitrile
CID 88247819
4-[1-[(2-Methylpropan-2-yl)oxy]-2-(oxomethylidene)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile
CID 88247941
1-[3-(3,4-Dimethylphenoxy)propyl]piperidine
CID 2057747
4-(2,3-Dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanenitrile
CID 102100110
4-[(s)-2-Octanyloxy]phthalonitrile
CID 129713317
2-Nitro-2-methyl-1,3-bis(3,4-dicyanophenoxymethyl)propane
CID 129829667
4-{[3,7-Dimethylocta-2,6-dien-1-yl]oxy}phthalonitrile
CID 134612416
4-(1-Methylpiperidin-4-yl)oxy-2-(trifluoromethyl)benzonitrile
CID 61283600
5-(1-Methylpiperidin-4-yl)oxy-2-(trifluoromethyl)benzonitrile
CID 81546127

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybenzene-1,2-dicarbonitrile?
The IUPAC name of 4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybenzene-1,2-dicarbonitrile (CID 146161397) is 4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybenzene-1,2-dicarbonitrile?
The canonical SMILES for 4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybenzene-1,2-dicarbonitrile is CC1(C)CC(Oc2ccc(C#N)c(C#N)c2)CC(C)(C)N1O.
What is the InChIKey of 4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybenzene-1,2-dicarbonitrile?
The InChIKey is MYDHYFWYGFPXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-16(2)8-15(9-17(3,4)20(16)21)22-14-6-5-12(10-18)13(7-14)11-19/h5-7,15,21H,8-9H2,1-4H3.
What are the key properties of 4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybenzene-1,2-dicarbonitrile?
4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybenzene-1,2-dicarbonitrile has a molecular weight of 299.37 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybenzene-1,2-dicarbonitrile is sourced from PubChem (CID 146161397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).