4-methoxy-2-[(E)-piperidin-1-yliminomethyl]phenol

C13H18N2O2 — CID 135614927

IUPAC4-methoxy-2-[(E)-piperidin-1-yliminomethyl]phenol
SMILESCOc1ccc(O)c(/C=N/N2CCCCC2)c1
InChIInChI=1S/C13H18N2O2/c1-17-12-5-6-13(16)11(9-12)10-14-15-7-3-2-4-8-15/h5-6,9-10,16H,2-4,7-8H2,1H3/b14-10+
InChIKeyWJCNKTNRDDBVQH-GXDHUFHOSA-N
MW234.30 g/mol
LogP2.22
Rot. Bonds3

About 4-methoxy-2-[(E)-piperidin-1-yliminomethyl]phenol

4-methoxy-2-[(E)-piperidin-1-yliminomethyl]phenol (PubChem CID 135614927) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-methoxy-2-[(E)-piperidin-1-yliminomethyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[(E)-piperidin-1-yliminomethyl]phenol
PubChem CID135614927
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-methoxy-2-[(E)-piperidin-1-yliminomethyl]phenol
SMILESCOc1ccc(O)c(/C=N/N2CCCCC2)c1
InChIInChI=1S/C13H18N2O2/c1-17-12-5-6-13(16)11(9-12)10-14-15-7-3-2-4-8-15/h5-6,9-10,16H,2-4,7-8H2,1H3/b14-10+
InChIKeyWJCNKTNRDDBVQH-GXDHUFHOSA-N
XLogP2.22
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-methoxy-2-[(E)-piperidin-1-yliminomethyl]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

(E)-1-[2-(difluoromethoxy)phenyl]-N-(2,6-dimethylpiperidin-1-yl)methanimine
CID 9626899
3-[(E)-(piperidin-1-ylimino)methyl]benzene-1,2-diol
CID 135517573
2-methoxy-6-[(E)-morpholin-4-yliminomethyl]phenol
CID 135521603
5-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2-methoxyphenol
CID 9675390
4-methoxy-2-[(E)-morpholin-4-yliminomethyl]phenol
CID 135605991
2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-6-ethoxyphenol
CID 135613696
2-[(E)-piperidin-1-yliminomethyl]phenol
CID 135519984
N-(azepan-1-yl)-1-(2-methoxyphenyl)methanimine
CID 255908
2-{(E)-[(2-{[(1E)-(2-hydroxy-5-methoxyphenyl)methylene]amino}-1-methylethyl)imino]methyl}-4-methoxyphenol
CID 4214077
N'-(2-Hydroxy-5-methoxybenzylidene)-1-piperidinecarbothiohydrazide
CID 135484939
N,N'-Bis(2-hydroxy-5-methoxybenzylidene)propane-1,3-diamine
CID 403716
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135612562

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(E)-piperidin-1-yliminomethyl]phenol?
The IUPAC name of 4-methoxy-2-[(E)-piperidin-1-yliminomethyl]phenol (CID 135614927) is 4-methoxy-2-[(E)-piperidin-1-yliminomethyl]phenol.
What is the SMILES notation for 4-methoxy-2-[(E)-piperidin-1-yliminomethyl]phenol?
The canonical SMILES for 4-methoxy-2-[(E)-piperidin-1-yliminomethyl]phenol is COc1ccc(O)c(/C=N/N2CCCCC2)c1.
What is the InChIKey of 4-methoxy-2-[(E)-piperidin-1-yliminomethyl]phenol?
The InChIKey is WJCNKTNRDDBVQH-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-12-5-6-13(16)11(9-12)10-14-15-7-3-2-4-8-15/h5-6,9-10,16H,2-4,7-8H2,1H3/b14-10+.
What are the key properties of 4-methoxy-2-[(E)-piperidin-1-yliminomethyl]phenol?
4-methoxy-2-[(E)-piperidin-1-yliminomethyl]phenol has a molecular weight of 234.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(E)-piperidin-1-yliminomethyl]phenol is sourced from PubChem (CID 135614927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).