1,11,11-trimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol

C22H34N2O2 — CID 54239868

IUPAC1,11,11-trimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol
SMILESCC1(C)CC(n2c(O)c3c(c2O)C2(C)C=CC3C(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C22H34N2O2/c1-19(2)12-22(7)9-8-14(19)15-16(22)18(26)24(17(15)25)13-10-20(3,4)23-21(5,6)11-13/h8-9,13-14,23,25-26H,10-12H2,1-7H3
InChIKeyQPGFIOLPLLFLQL-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.72
Rot. Bonds1

About 1,11,11-trimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol

1,11,11-trimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol (PubChem CID 54239868) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 1,11,11-trimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol.

Molecular Properties

Compound Name1,11,11-trimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol
PubChem CID54239868
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name1,11,11-trimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol
SMILESCC1(C)CC(n2c(O)c3c(c2O)C2(C)C=CC3C(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C22H34N2O2/c1-19(2)12-22(7)9-8-14(19)15-16(22)18(26)24(17(15)25)13-10-20(3,4)23-21(5,6)11-13/h8-9,13-14,23,25-26H,10-12H2,1-7H3
InChIKeyQPGFIOLPLLFLQL-UHFFFAOYSA-N
XLogP4.72
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,11,11-trimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol with MolForge

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Related Compounds

1-Methyl-7-propan-2-yl-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol
CID 53724739
1-Amino-4-benzyl-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol
CID 53854707
1-(Dimethylamino)-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol
CID 53902117
1,8,8-Trimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)-4-azatricyclo[5.2.2.02,6]undeca-2,5-diene-3,5-diol
CID 53934093
3-Dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol
CID 53934867
2-Piperidin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54003653
4-(2-Ethylhexyl)-1-methyl-7-propan-2-yl-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol
CID 54051880
5-Methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5-dihydroisoindole-1,3-diol
CID 54198545
2-(11-Amino-2,2,12-trimethyltridecyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol
CID 54271084
4-Methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54309082
2-(2,2,6,6-Tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54350077
5-Methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54389160

Frequently Asked Questions

What is the IUPAC name of 1,11,11-trimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol?
The IUPAC name of 1,11,11-trimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol (CID 54239868) is 1,11,11-trimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol.
What is the SMILES notation for 1,11,11-trimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol?
The canonical SMILES for 1,11,11-trimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol is CC1(C)CC(n2c(O)c3c(c2O)C2(C)C=CC3C(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 1,11,11-trimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol?
The InChIKey is QPGFIOLPLLFLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-19(2)12-22(7)9-8-14(19)15-16(22)18(26)24(17(15)25)13-10-20(3,4)23-21(5,6)11-13/h8-9,13-14,23,25-26H,10-12H2,1-7H3.
What are the key properties of 1,11,11-trimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol?
1,11,11-trimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol has a molecular weight of 358.53 g/mol, XLogP of 4.72, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11,11-trimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol is sourced from PubChem (CID 54239868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).