2-(2-piperazin-1-ylethyliminomethyl)phenol

C13H19N3O — CID 135710725

IUPAC2-(2-piperazin-1-ylethyliminomethyl)phenol
SMILESOc1ccccc1/C=N/CCN1CCNCC1
InChIInChI=1S/C13H19N3O/c17-13-4-2-1-3-12(13)11-15-7-10-16-8-5-14-6-9-16/h1-4,11,14,17H,5-10H2/b15-11+
InChIKeyWPHPQAVTVDJBHB-RVDMUPIBSA-N
MW233.31 g/mol
LogP0.72
Rot. Bonds4

About 2-(2-piperazin-1-ylethyliminomethyl)phenol

2-(2-piperazin-1-ylethyliminomethyl)phenol (PubChem CID 135710725) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylethyliminomethyl)phenol.

Molecular Properties

Compound Name2-(2-piperazin-1-ylethyliminomethyl)phenol
PubChem CID135710725
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(2-piperazin-1-ylethyliminomethyl)phenol
SMILESOc1ccccc1/C=N/CCN1CCNCC1
InChIInChI=1S/C13H19N3O/c17-13-4-2-1-3-12(13)11-15-7-10-16-8-5-14-6-9-16/h1-4,11,14,17H,5-10H2/b15-11+
InChIKeyWPHPQAVTVDJBHB-RVDMUPIBSA-N
XLogP0.72
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-ylethyliminomethyl)phenol?
The IUPAC name of 2-(2-piperazin-1-ylethyliminomethyl)phenol (CID 135710725) is 2-(2-piperazin-1-ylethyliminomethyl)phenol.
What is the SMILES notation for 2-(2-piperazin-1-ylethyliminomethyl)phenol?
The canonical SMILES for 2-(2-piperazin-1-ylethyliminomethyl)phenol is Oc1ccccc1/C=N/CCN1CCNCC1.
What is the InChIKey of 2-(2-piperazin-1-ylethyliminomethyl)phenol?
The InChIKey is WPHPQAVTVDJBHB-RVDMUPIBSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13-4-2-1-3-12(13)11-15-7-10-16-8-5-14-6-9-16/h1-4,11,14,17H,5-10H2/b15-11+.
What are the key properties of 2-(2-piperazin-1-ylethyliminomethyl)phenol?
2-(2-piperazin-1-ylethyliminomethyl)phenol has a molecular weight of 233.31 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylethyliminomethyl)phenol is sourced from PubChem (CID 135710725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).