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

C14H20N2O — CID 135548604

IUPAC4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol
SMILESCC1CCCC(C)N1/N=C/c1ccc(O)cc1
InChIInChI=1S/C14H20N2O/c1-11-4-3-5-12(2)16(11)15-10-13-6-8-14(17)9-7-13/h6-12,17H,3-5H2,1-2H3/b15-10+
InChIKeyOYEOHKHOGJSXGY-XNTDXEJSSA-N
MW232.33 g/mol
LogP2.99
Rot. Bonds2

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

4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol (PubChem CID 135548604) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol.

Molecular Properties

Compound Name4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol
PubChem CID135548604
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol
SMILESCC1CCCC(C)N1/N=C/c1ccc(O)cc1
InChIInChI=1S/C14H20N2O/c1-11-4-3-5-12(2)16(11)15-10-13-6-8-14(17)9-7-13/h6-12,17H,3-5H2,1-2H3/b15-10+
InChIKeyOYEOHKHOGJSXGY-XNTDXEJSSA-N
XLogP2.99
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol
CID 135605950
(4Z)-4-[[(2,6-dimethylpiperidino)amino]methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one
CID 135679010
1,2-Benzenediol,4-[(1-piperidinylimino)methyl]-
CID 135691225
3-[(E)-(piperidin-1-ylimino)methyl]benzene-1,2-diol
CID 135517573
4-[(Cyclohexylimino)methyl]phenol
CID 241238
4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol
CID 135684063
Benzaldehyde, p-hydroxy-, dimethylhydrazone
CID 135509593
2-[(E)-N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol
CID 135576308
4-{(E)-[(4-benzylpiperazin-1-yl)imino]methyl}phenol
CID 135576688
2-[(E)-piperidin-1-yliminomethyl]phenol
CID 135519984
4-[(E)-2-[(2S)-1-methylpiperidin-2-yl]ethenyl]phenol
CID 50901754
Phenol, o-(N-(hexahydro-1H-azepin-1-yl)formimidoyl)-
CID 135491025

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol?
The IUPAC name of 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol (CID 135548604) is 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol.
What is the SMILES notation for 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol?
The canonical SMILES for 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol is CC1CCCC(C)N1/N=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol?
The InChIKey is OYEOHKHOGJSXGY-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-4-3-5-12(2)16(11)15-10-13-6-8-14(17)9-7-13/h6-12,17H,3-5H2,1-2H3/b15-10+.
What are the key properties of 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol?
4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol has a molecular weight of 232.33 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol is sourced from PubChem (CID 135548604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).