5-(diethylamino)-2-[(Z)-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol

C24H34N4O — CID 135948699

IUPAC5-(diethylamino)-2-[(Z)-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N\N2CCN(Cc3ccc(C)cc3C)CC2)c(O)c1
InChIInChI=1S/C24H34N4O/c1-5-27(6-2)23-10-9-21(24(29)16-23)17-25-28-13-11-26(12-14-28)18-22-8-7-19(3)15-20(22)4/h7-10,15-17,29H,5-6,11-14,18H2,1-4H3/b25-17-
InChIKeyJLSVESCSMSAXAB-UQQQWYQISA-N
MW394.56 g/mol
LogP4.01
Rot. Bonds7

About 5-(diethylamino)-2-[(Z)-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol

5-(diethylamino)-2-[(Z)-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol (PubChem CID 135948699) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(Z)-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[(Z)-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
PubChem CID135948699
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name5-(diethylamino)-2-[(Z)-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N\N2CCN(Cc3ccc(C)cc3C)CC2)c(O)c1
InChIInChI=1S/C24H34N4O/c1-5-27(6-2)23-10-9-21(24(29)16-23)17-25-28-13-11-26(12-14-28)18-22-8-7-19(3)15-20(22)4/h7-10,15-17,29H,5-6,11-14,18H2,1-4H3/b25-17-
InChIKeyJLSVESCSMSAXAB-UQQQWYQISA-N
XLogP4.01
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[(Z)-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[(Z)-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol (CID 135948699) is 5-(diethylamino)-2-[(Z)-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[(Z)-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[(Z)-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol is CCN(CC)c1ccc(/C=N\N2CCN(Cc3ccc(C)cc3C)CC2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[(Z)-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol?
The InChIKey is JLSVESCSMSAXAB-UQQQWYQISA-N. The full InChI is InChI=1S/C24H34N4O/c1-5-27(6-2)23-10-9-21(24(29)16-23)17-25-28-13-11-26(12-14-28)18-22-8-7-19(3)15-20(22)4/h7-10,15-17,29H,5-6,11-14,18H2,1-4H3/b25-17-.
What are the key properties of 5-(diethylamino)-2-[(Z)-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol?
5-(diethylamino)-2-[(Z)-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol has a molecular weight of 394.56 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(Z)-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol is sourced from PubChem (CID 135948699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).