2,6-ditert-butyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]phenol

C24H41N2O+ — CID 4225746

IUPAC2,6-ditert-butyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]phenol
SMILESCC1(C)CC(/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC(C)(C)[NH2+]1
InChIInChI=1S/C24H40N2O/c1-21(2,3)18-11-16(12-19(20(18)27)22(4,5)6)15-25-17-13-23(7,8)26-24(9,10)14-17/h11-12,15,17,26-27H,13-14H2,1-10H3/p+1/b25-15+
InChIKeyHEZWFYAINFDAFR-MFKUBSTISA-O
MW373.61 g/mol
LogP4.69
Rot. Bonds2

About 2,6-ditert-butyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]phenol

2,6-ditert-butyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]phenol (PubChem CID 4225746) has the molecular formula C24H41N2O+ and a molecular weight of 373.61 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]phenol
PubChem CID4225746
Molecular FormulaC24H41N2O+
Molecular Weight373.61 g/mol
Exact Mass373.32
IUPAC Name2,6-ditert-butyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]phenol
SMILESCC1(C)CC(/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC(C)(C)[NH2+]1
InChIInChI=1S/C24H40N2O/c1-21(2,3)18-11-16(12-19(20(18)27)22(4,5)6)15-25-17-13-23(7,8)26-24(9,10)14-17/h11-12,15,17,26-27H,13-14H2,1-10H3/p+1/b25-15+
InChIKeyHEZWFYAINFDAFR-MFKUBSTISA-O
XLogP4.69
TPSA49.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,6-ditert-butyl-4-[(Z)-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135909999
2,6-ditert-butyl-4-[(E)-(methylhydrazinylidene)methyl]phenol;methane
CID 172972510
N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide
CID 4675666
3,5-ditert-butyl-N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 135437571
2,6-ditert-butyl-4-(2,2-diaminoethenyl)phenol
CID 88941839
2,6-bis(3,5-ditert-butyl-4-hydroxyphenyl)adamantane-2,6-diol
CID 15535451
(5S)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 2695701
5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-methylimino-1,3-thiazolidin-4-one
CID 135984028
2-tert-butyl-6-methanimidoyl-4-propan-2-ylphenol;N-cyclohexyl-1-(3,5-ditert-butylphenyl)methanimine
CID 144903145
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-methylphenol;cobalt(2+);diacetate
CID 158300615
4-butan-2-yl-2-[[4-[(5-butan-2-yl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenol
CID 137035642
3-cyclopropyl-4-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 135575985

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]phenol (CID 4225746) is 2,6-ditert-butyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]phenol is CC1(C)CC(/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC(C)(C)[NH2+]1.
What is the InChIKey of 2,6-ditert-butyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]phenol?
The InChIKey is HEZWFYAINFDAFR-MFKUBSTISA-O. The full InChI is InChI=1S/C24H40N2O/c1-21(2,3)18-11-16(12-19(20(18)27)22(4,5)6)15-25-17-13-23(7,8)26-24(9,10)14-17/h11-12,15,17,26-27H,13-14H2,1-10H3/p+1/b25-15+.
What are the key properties of 2,6-ditert-butyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]phenol?
2,6-ditert-butyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]phenol has a molecular weight of 373.61 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]phenol is sourced from PubChem (CID 4225746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).