4-(piperidin-1-yliminomethyl)benzene-1,3-diol

C12H16N2O2 — CID 4284000

IUPAC4-(piperidin-1-yliminomethyl)benzene-1,3-diol
SMILESOc1ccc(C=NN2CCCCC2)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
InChIKeyOMCGXNKKRGGPCS-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.92
Rot. Bonds2

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

4-(piperidin-1-yliminomethyl)benzene-1,3-diol (PubChem CID 4284000) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(piperidin-1-yliminomethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(piperidin-1-yliminomethyl)benzene-1,3-diol
PubChem CID4284000
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-(piperidin-1-yliminomethyl)benzene-1,3-diol
SMILESOc1ccc(C=NN2CCCCC2)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
InChIKeyOMCGXNKKRGGPCS-UHFFFAOYSA-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

2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol
CID 135605950
5-methoxy-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol
CID 135675953
4-((Cyclohexylimino)methyl)benzene-1,3-diol
CID 796887
3-[(E)-(piperidin-1-ylimino)methyl]benzene-1,2-diol
CID 135517573
4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol
CID 135684063
4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol
CID 135548604
2-[(E)-N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol
CID 135576308
(4E)-2,3-dihydroxy-4-[(piperidin-1-ylamino)methylidene]cyclohexa-2,5-dien-1-one
CID 135716008
2-[(E)-piperidin-1-yliminomethyl]phenol
CID 135519984
4-[(E)-[(E)-(2,4-dihydroxyphenyl)methylenehydrazono]methyl]benzene-1,3-diol
CID 135472529
Phenol, o-(N-(hexahydro-1H-azepin-1-yl)formimidoyl)-
CID 135491025
2-{[(Azepan-1-yl)imino]methyl}phenol
CID 96617

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-yliminomethyl)benzene-1,3-diol?
The IUPAC name of 4-(piperidin-1-yliminomethyl)benzene-1,3-diol (CID 4284000) is 4-(piperidin-1-yliminomethyl)benzene-1,3-diol.
What is the SMILES notation for 4-(piperidin-1-yliminomethyl)benzene-1,3-diol?
The canonical SMILES for 4-(piperidin-1-yliminomethyl)benzene-1,3-diol is Oc1ccc(C=NN2CCCCC2)c(O)c1.
What is the InChIKey of 4-(piperidin-1-yliminomethyl)benzene-1,3-diol?
The InChIKey is OMCGXNKKRGGPCS-UHFFFAOYSA-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.
What are the key properties of 4-(piperidin-1-yliminomethyl)benzene-1,3-diol?
4-(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-(piperidin-1-yliminomethyl)benzene-1,3-diol is sourced from PubChem (CID 4284000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).