4-[C-ethyl-N-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]phenol

C18H22N4O — CID 886973

IUPAC4-[C-ethyl-N-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]phenol
SMILESCCC(=NN1CCN(c2ccccn2)CC1)c1ccc(O)cc1
InChIInChI=1S/C18H22N4O/c1-2-17(15-6-8-16(23)9-7-15)20-22-13-11-21(12-14-22)18-5-3-4-10-19-18/h3-10,23H,2,11-14H2,1H3
InChIKeyCGXJXJOGGPVYRM-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.72
Rot. Bonds4

About 4-[C-ethyl-N-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]phenol

4-[C-ethyl-N-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]phenol (PubChem CID 886973) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[C-ethyl-N-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[C-ethyl-N-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]phenol
PubChem CID886973
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-[C-ethyl-N-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]phenol
SMILESCCC(=NN1CCN(c2ccccn2)CC1)c1ccc(O)cc1
InChIInChI=1S/C18H22N4O/c1-2-17(15-6-8-16(23)9-7-15)20-22-13-11-21(12-14-22)18-5-3-4-10-19-18/h3-10,23H,2,11-14H2,1H3
InChIKeyCGXJXJOGGPVYRM-UHFFFAOYSA-N
XLogP2.72
TPSA51.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
1-methoxy-4-pyridin-2-ylpiperazine
CID 59857720
4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112858073
1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-amine
CID 43650423
4-ethyl-5-(4-hydroxyphenyl)-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione
CID 135476535
2-ethoxy-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol
CID 135457671
2-ethoxy-6-[(Z)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol
CID 135928779
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
(E)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)pent-2-en-1-one
CID 110297208
(E)-1-(3-methylthiophen-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 6861842
(1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 95104663

Frequently Asked Questions

What is the IUPAC name of 4-[C-ethyl-N-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]phenol?
The IUPAC name of 4-[C-ethyl-N-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]phenol (CID 886973) is 4-[C-ethyl-N-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]phenol.
What is the SMILES notation for 4-[C-ethyl-N-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]phenol?
The canonical SMILES for 4-[C-ethyl-N-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]phenol is CCC(=NN1CCN(c2ccccn2)CC1)c1ccc(O)cc1.
What is the InChIKey of 4-[C-ethyl-N-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]phenol?
The InChIKey is CGXJXJOGGPVYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-17(15-6-8-16(23)9-7-15)20-22-13-11-21(12-14-22)18-5-3-4-10-19-18/h3-10,23H,2,11-14H2,1H3.
What are the key properties of 4-[C-ethyl-N-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]phenol?
4-[C-ethyl-N-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]phenol has a molecular weight of 310.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[C-ethyl-N-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]phenol is sourced from PubChem (CID 886973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).