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

C23H23N3O — CID 3056190

IUPAC2-[[4-(4-phenylpiperazin-1-yl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc(N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H23N3O/c27-23-9-5-4-6-19(23)18-24-20-10-12-22(13-11-20)26-16-14-25(15-17-26)21-7-2-1-3-8-21/h1-13,18,27H,14-17H2/b24-18+
InChIKeyXROIKODJMMBBPF-HKOYGPOVSA-N
MW357.46 g/mol
LogP4.47
Rot. Bonds4

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

2-[[4-(4-phenylpiperazin-1-yl)phenyl]iminomethyl]phenol (PubChem CID 3056190) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[[4-(4-phenylpiperazin-1-yl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[4-(4-phenylpiperazin-1-yl)phenyl]iminomethyl]phenol
PubChem CID3056190
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name2-[[4-(4-phenylpiperazin-1-yl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc(N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H23N3O/c27-23-9-5-4-6-19(23)18-24-20-10-12-22(13-11-20)26-16-14-25(15-17-26)21-7-2-1-3-8-21/h1-13,18,27H,14-17H2/b24-18+
InChIKeyXROIKODJMMBBPF-HKOYGPOVSA-N
XLogP4.47
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.47
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-phenylpiperazin-1-yl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[4-(4-phenylpiperazin-1-yl)phenyl]iminomethyl]phenol (CID 3056190) is 2-[[4-(4-phenylpiperazin-1-yl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[4-(4-phenylpiperazin-1-yl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[4-(4-phenylpiperazin-1-yl)phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1ccc(N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[[4-(4-phenylpiperazin-1-yl)phenyl]iminomethyl]phenol?
The InChIKey is XROIKODJMMBBPF-HKOYGPOVSA-N. The full InChI is InChI=1S/C23H23N3O/c27-23-9-5-4-6-19(23)18-24-20-10-12-22(13-11-20)26-16-14-25(15-17-26)21-7-2-1-3-8-21/h1-13,18,27H,14-17H2/b24-18+.
What are the key properties of 2-[[4-(4-phenylpiperazin-1-yl)phenyl]iminomethyl]phenol?
2-[[4-(4-phenylpiperazin-1-yl)phenyl]iminomethyl]phenol has a molecular weight of 357.46 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-phenylpiperazin-1-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 3056190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).