2-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]phenol

C19H23N3O — CID 830472

IUPAC2-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]phenol
SMILESCCN1CCN(c2ccc(/N=C/c3ccccc3O)cc2)CC1
InChIInChI=1S/C19H23N3O/c1-2-21-11-13-22(14-12-21)18-9-7-17(8-10-18)20-15-16-5-3-4-6-19(16)23/h3-10,15,23H,2,11-14H2,1H3/b20-15+
InChIKeyWLFWOPUZPHXQQU-HMMYKYKNSA-N
MW309.41 g/mol
LogP3.28
Rot. Bonds4

About 2-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]phenol

2-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]phenol (PubChem CID 830472) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]phenol
PubChem CID830472
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]phenol
SMILESCCN1CCN(c2ccc(/N=C/c3ccccc3O)cc2)CC1
InChIInChI=1S/C19H23N3O/c1-2-21-11-13-22(14-12-21)18-9-7-17(8-10-18)20-15-16-5-3-4-6-19(16)23/h3-10,15,23H,2,11-14H2,1H3/b20-15+
InChIKeyWLFWOPUZPHXQQU-HMMYKYKNSA-N
XLogP3.28
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]phenol (CID 830472) is 2-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]phenol is CCN1CCN(c2ccc(/N=C/c3ccccc3O)cc2)CC1.
What is the InChIKey of 2-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]phenol?
The InChIKey is WLFWOPUZPHXQQU-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-21-11-13-22(14-12-21)18-9-7-17(8-10-18)20-15-16-5-3-4-6-19(16)23/h3-10,15,23H,2,11-14H2,1H3/b20-15+.
What are the key properties of 2-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]phenol?
2-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]phenol has a molecular weight of 309.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-ethylpiperazin-1-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 830472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).