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

C14H20N2O2 — CID 135679010

IUPAC4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]benzene-1,2-diol
SMILESCC1CCCC(C)N1/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C14H20N2O2/c1-10-4-3-5-11(2)16(10)15-9-12-6-7-13(17)14(18)8-12/h6-11,17-18H,3-5H2,1-2H3/b15-9+
InChIKeyYSLIHMORGMIAII-OQLLNIDSSA-N
MW248.33 g/mol
LogP2.69
Rot. Bonds2

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

4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]benzene-1,2-diol (PubChem CID 135679010) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]benzene-1,2-diol
PubChem CID135679010
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]benzene-1,2-diol
SMILESCC1CCCC(C)N1/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C14H20N2O2/c1-10-4-3-5-11(2)16(10)15-9-12-6-7-13(17)14(18)8-12/h6-11,17-18H,3-5H2,1-2H3/b15-9+
InChIKeyYSLIHMORGMIAII-OQLLNIDSSA-N
XLogP2.69
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]benzene-1,2-diol?
The IUPAC name of 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]benzene-1,2-diol (CID 135679010) is 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]benzene-1,2-diol?
The canonical SMILES for 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]benzene-1,2-diol is CC1CCCC(C)N1/N=C/c1ccc(O)c(O)c1.
What is the InChIKey of 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]benzene-1,2-diol?
The InChIKey is YSLIHMORGMIAII-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-4-3-5-11(2)16(10)15-9-12-6-7-13(17)14(18)8-12/h6-11,17-18H,3-5H2,1-2H3/b15-9+.
What are the key properties of 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]benzene-1,2-diol?
4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]benzene-1,2-diol has a molecular weight of 248.33 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]benzene-1,2-diol is sourced from PubChem (CID 135679010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).