2-bromo-6-methoxy-4-(piperidin-1-yliminomethyl)phenol

C13H17BrN2O2 — CID 2345813

IUPAC2-bromo-6-methoxy-4-(piperidin-1-yliminomethyl)phenol
SMILESCOc1cc(C=NN2CCCCC2)cc(Br)c1O
InChIInChI=1S/C13H17BrN2O2/c1-18-12-8-10(7-11(14)13(12)17)9-15-16-5-3-2-4-6-16/h7-9,17H,2-6H2,1H3
InChIKeyDKPQMPDBSCMCBE-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.98
Rot. Bonds3

About 2-bromo-6-methoxy-4-(piperidin-1-yliminomethyl)phenol

2-bromo-6-methoxy-4-(piperidin-1-yliminomethyl)phenol (PubChem CID 2345813) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-(piperidin-1-yliminomethyl)phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-(piperidin-1-yliminomethyl)phenol
PubChem CID2345813
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-bromo-6-methoxy-4-(piperidin-1-yliminomethyl)phenol
SMILESCOc1cc(C=NN2CCCCC2)cc(Br)c1O
InChIInChI=1S/C13H17BrN2O2/c1-18-12-8-10(7-11(14)13(12)17)9-15-16-5-3-2-4-6-16/h7-9,17H,2-6H2,1H3
InChIKeyDKPQMPDBSCMCBE-UHFFFAOYSA-N
XLogP2.98
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bromo-6-methoxy-4-(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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-(piperidin-1-yliminomethyl)phenol?
The IUPAC name of 2-bromo-6-methoxy-4-(piperidin-1-yliminomethyl)phenol (CID 2345813) is 2-bromo-6-methoxy-4-(piperidin-1-yliminomethyl)phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-(piperidin-1-yliminomethyl)phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-(piperidin-1-yliminomethyl)phenol is COc1cc(C=NN2CCCCC2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-(piperidin-1-yliminomethyl)phenol?
The InChIKey is DKPQMPDBSCMCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-18-12-8-10(7-11(14)13(12)17)9-15-16-5-3-2-4-6-16/h7-9,17H,2-6H2,1H3.
What are the key properties of 2-bromo-6-methoxy-4-(piperidin-1-yliminomethyl)phenol?
2-bromo-6-methoxy-4-(piperidin-1-yliminomethyl)phenol has a molecular weight of 313.19 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-(piperidin-1-yliminomethyl)phenol is sourced from PubChem (CID 2345813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).