4-bromo-2-[(E)-piperidin-1-yliminomethyl]phenol

C12H15BrN2O — CID 135401306

IUPAC4-bromo-2-[(E)-piperidin-1-yliminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/N1CCCCC1
InChIInChI=1S/C12H15BrN2O/c13-11-4-5-12(16)10(8-11)9-14-15-6-2-1-3-7-15/h4-5,8-9,16H,1-3,6-7H2/b14-9+
InChIKeyIOYIVXOHGNTERE-NTEUORMPSA-N
MW283.17 g/mol
LogP2.97
Rot. Bonds2

About 4-bromo-2-[(E)-piperidin-1-yliminomethyl]phenol

4-bromo-2-[(E)-piperidin-1-yliminomethyl]phenol (PubChem CID 135401306) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 4-bromo-2-[(E)-piperidin-1-yliminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-piperidin-1-yliminomethyl]phenol
PubChem CID135401306
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name4-bromo-2-[(E)-piperidin-1-yliminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/N1CCCCC1
InChIInChI=1S/C12H15BrN2O/c13-11-4-5-12(16)10(8-11)9-14-15-6-2-1-3-7-15/h4-5,8-9,16H,1-3,6-7H2/b14-9+
InChIKeyIOYIVXOHGNTERE-NTEUORMPSA-N
XLogP2.97
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(E)-piperidin-1-yliminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-piperidin-1-yliminomethyl]phenol (CID 135401306) is 4-bromo-2-[(E)-piperidin-1-yliminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-piperidin-1-yliminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-piperidin-1-yliminomethyl]phenol is Oc1ccc(Br)cc1/C=N/N1CCCCC1.
What is the InChIKey of 4-bromo-2-[(E)-piperidin-1-yliminomethyl]phenol?
The InChIKey is IOYIVXOHGNTERE-NTEUORMPSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-11-4-5-12(16)10(8-11)9-14-15-6-2-1-3-7-15/h4-5,8-9,16H,1-3,6-7H2/b14-9+.
What are the key properties of 4-bromo-2-[(E)-piperidin-1-yliminomethyl]phenol?
4-bromo-2-[(E)-piperidin-1-yliminomethyl]phenol has a molecular weight of 283.17 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-piperidin-1-yliminomethyl]phenol is sourced from PubChem (CID 135401306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).