4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol

C12H16N2O2 — CID 135684063

IUPAC4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/N2CCCCC2)c(O)c1
InChIInChI=1S/C12H16N2O2/c15-11-5-4-10(12(16)8-11)9-13-14-6-2-1-3-7-14/h4-5,8-9,15-16H,1-3,6-7H2/b13-9+
InChIKeyOMCGXNKKRGGPCS-UKTHLTGXSA-N
MW220.27 g/mol
LogP1.92
Rot. Bonds2

About 4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol

4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol (PubChem CID 135684063) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol
PubChem CID135684063
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/N2CCCCC2)c(O)c1
InChIInChI=1S/C12H16N2O2/c15-11-5-4-10(12(16)8-11)9-13-14-6-2-1-3-7-14/h4-5,8-9,15-16H,1-3,6-7H2/b13-9+
InChIKeyOMCGXNKKRGGPCS-UKTHLTGXSA-N
XLogP1.92
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-[4-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzene-1,3-diol
CID 136795193
4-[(Z)-morpholin-4-yliminomethyl]benzene-1,3-diol
CID 136904662
4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]benzene-1,3-diol
CID 135635815
4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]benzene-1,3-diol
CID 135692375
4-[(Z)-piperidin-1-yliminomethyl]benzene-1,2-diol
CID 136915095
2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766507
4-[(E)-hydroxyiminomethyl]benzene-1,3-diol
CID 135408746
4-(methyliminomethyl)benzene-1,3-diol
CID 136600311
2,4-dibromo-6-(piperidin-1-yliminomethyl)phenol
CID 135709522
4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol
CID 4512993
4-[(Z)-[[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 136744794
4-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]benzene-1,3-diol
CID 3786990

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol (CID 135684063) is 4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol is Oc1ccc(/C=N/N2CCCCC2)c(O)c1.
What is the InChIKey of 4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol?
The InChIKey is OMCGXNKKRGGPCS-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-11-5-4-10(12(16)8-11)9-13-14-6-2-1-3-7-14/h4-5,8-9,15-16H,1-3,6-7H2/b13-9+.
What are the key properties of 4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol?
4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol has a molecular weight of 220.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol is sourced from PubChem (CID 135684063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).