2,6-dimethoxy-4-(piperidin-1-yliminomethyl)phenol

C14H20N2O3 — CID 2371747

IUPAC2,6-dimethoxy-4-(piperidin-1-yliminomethyl)phenol
SMILESCOc1cc(C=NN2CCCCC2)cc(OC)c1O
InChIInChI=1S/C14H20N2O3/c1-18-12-8-11(9-13(19-2)14(12)17)10-15-16-6-4-3-5-7-16/h8-10,17H,3-7H2,1-2H3
InChIKeySNEQVJFGRLFSHK-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.23
Rot. Bonds4

About 2,6-dimethoxy-4-(piperidin-1-yliminomethyl)phenol

2,6-dimethoxy-4-(piperidin-1-yliminomethyl)phenol (PubChem CID 2371747) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2,6-dimethoxy-4-(piperidin-1-yliminomethyl)phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-(piperidin-1-yliminomethyl)phenol
PubChem CID2371747
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2,6-dimethoxy-4-(piperidin-1-yliminomethyl)phenol
SMILESCOc1cc(C=NN2CCCCC2)cc(OC)c1O
InChIInChI=1S/C14H20N2O3/c1-18-12-8-11(9-13(19-2)14(12)17)10-15-16-6-4-3-5-7-16/h8-10,17H,3-7H2,1-2H3
InChIKeySNEQVJFGRLFSHK-UHFFFAOYSA-N
XLogP2.23
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-(piperidin-1-yliminomethyl)phenol?
The IUPAC name of 2,6-dimethoxy-4-(piperidin-1-yliminomethyl)phenol (CID 2371747) is 2,6-dimethoxy-4-(piperidin-1-yliminomethyl)phenol.
What is the SMILES notation for 2,6-dimethoxy-4-(piperidin-1-yliminomethyl)phenol?
The canonical SMILES for 2,6-dimethoxy-4-(piperidin-1-yliminomethyl)phenol is COc1cc(C=NN2CCCCC2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-(piperidin-1-yliminomethyl)phenol?
The InChIKey is SNEQVJFGRLFSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-12-8-11(9-13(19-2)14(12)17)10-15-16-6-4-3-5-7-16/h8-10,17H,3-7H2,1-2H3.
What are the key properties of 2,6-dimethoxy-4-(piperidin-1-yliminomethyl)phenol?
2,6-dimethoxy-4-(piperidin-1-yliminomethyl)phenol has a molecular weight of 264.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-(piperidin-1-yliminomethyl)phenol is sourced from PubChem (CID 2371747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).