4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol

C16H24N2O3 — CID 135548581

IUPAC4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=N/N2C(C)CCCC2C)cc(OC)c1O
InChIInChI=1S/C16H24N2O3/c1-11-6-5-7-12(2)18(11)17-10-13-8-14(20-3)16(19)15(9-13)21-4/h8-12,19H,5-7H2,1-4H3/b17-10+
InChIKeyCVZVLRVUYJAWQL-LICLKQGHSA-N
MW292.38 g/mol
LogP3.01
Rot. Bonds4

About 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol

4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol (PubChem CID 135548581) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol
PubChem CID135548581
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=N/N2C(C)CCCC2C)cc(OC)c1O
InChIInChI=1S/C16H24N2O3/c1-11-6-5-7-12(2)18(11)17-10-13-8-14(20-3)16(19)15(9-13)21-4/h8-12,19H,5-7H2,1-4H3/b17-10+
InChIKeyCVZVLRVUYJAWQL-LICLKQGHSA-N
XLogP3.01
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol
CID 135692372
[4-[(Z)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenyl] acetate
CID 9012463
(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine
CID 9012658
[4-[(Z)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenyl] 3,4-dimethoxybenzoate
CID 9012674
N-(2,6-dimethylpiperidin-1-yl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
CID 23878734
[4-[(2,6-dimethylpiperidin-1-yl)iminomethyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 23800450
1-(5-bromo-2-methoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine
CID 23854347
(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanimine
CID 11926003
2-[4-[(Z)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 9012679
(Z)-1-(4,5-dimethoxy-2-nitrophenyl)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine
CID 9012469
2,6-dimethoxy-4-[(E)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenol
CID 135852429
2-bromo-6-methoxy-4-(piperidin-1-yliminomethyl)phenol
CID 2345813

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol (CID 135548581) is 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol is COc1cc(/C=N/N2C(C)CCCC2C)cc(OC)c1O.
What is the InChIKey of 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol?
The InChIKey is CVZVLRVUYJAWQL-LICLKQGHSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-6-5-7-12(2)18(11)17-10-13-8-14(20-3)16(19)15(9-13)21-4/h8-12,19H,5-7H2,1-4H3/b17-10+.
What are the key properties of 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol?
4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol has a molecular weight of 292.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 135548581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).