4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol

C15H22N2O2 — CID 135692372

IUPAC4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/N2[C@H](C)CCC[C@@H]2C)ccc1O
InChIInChI=1S/C15H22N2O2/c1-11-5-4-6-12(2)17(11)16-10-13-7-8-14(18)15(9-13)19-3/h7-12,18H,4-6H2,1-3H3/b16-10+/t11-,12+
InChIKeyYUWROOBAHIUAOM-MTCUZCOSSA-N
MW262.35 g/mol
LogP3.00
Rot. Bonds3

About 4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol

4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol (PubChem CID 135692372) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol
PubChem CID135692372
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/N2[C@H](C)CCC[C@@H]2C)ccc1O
InChIInChI=1S/C15H22N2O2/c1-11-5-4-6-12(2)17(11)16-10-13-7-8-14(18)15(9-13)19-3/h7-12,18H,4-6H2,1-3H3/b16-10+/t11-,12+
InChIKeyYUWROOBAHIUAOM-MTCUZCOSSA-N
XLogP3.00
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol
CID 135548581
[4-[(Z)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenyl] acetate
CID 9012463
[4-[(Z)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenyl] 3,4-dimethoxybenzoate
CID 9012674
[4-[(2,6-dimethylpiperidin-1-yl)iminomethyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 23800450
N-(2,6-dimethylpiperidin-1-yl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
CID 23878734
2-[4-[(Z)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 9012679
(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine
CID 9012658
(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
4-[[(1S)-1-cyclohexylethyl]iminomethyl]-2-methoxyphenol
CID 139637264
1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one
CID 909670
4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]benzene-1,3-diol
CID 135692375
N-(2,6-dimethylpiperidin-1-yl)-1-pyridin-4-ylmethanimine
CID 3257538

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol (CID 135692372) is 4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol is COc1cc(/C=N/N2[C@H](C)CCC[C@@H]2C)ccc1O.
What is the InChIKey of 4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol?
The InChIKey is YUWROOBAHIUAOM-MTCUZCOSSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-5-4-6-12(2)17(11)16-10-13-7-8-14(18)15(9-13)19-3/h7-12,18H,4-6H2,1-3H3/b16-10+/t11-,12+.
What are the key properties of 4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol?
4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol has a molecular weight of 262.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol is sourced from PubChem (CID 135692372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).