1-(4-ethylpiperazin-1-yl)-N-(3-fluorobenzene-6-id-1-yl)-1-phenylmethanimine;uranium(2+)

C19H20FN3U — CID 163961870

IUPAC1-(4-ethylpiperazin-1-yl)-N-(3-fluorobenzene-6-id-1-yl)-1-phenylmethanimine;uranium(2+)
SMILESCCN1CCN(/C(=N/c2[c-]ccc(F)c2)c2[c-]cccc2)CC1.[U+2]
InChIInChI=1S/C19H20FN3.U/c1-2-22-11-13-23(14-12-22)19(16-7-4-3-5-8-16)21-18-10-6-9-17(20)15-18;/h3-7,9,15H,2,11-14H2,1H3;/q-2;+2/b21-19+;
InChIKeyIVCLGRDGQHBOFG-UXJRWBAGSA-N
MW547.42 g/mol
LogP3.14
Rot. Bonds3

About 1-(4-ethylpiperazin-1-yl)-N-(3-fluorobenzene-6-id-1-yl)-1-phenylmethanimine;uranium(2+)

1-(4-ethylpiperazin-1-yl)-N-(3-fluorobenzene-6-id-1-yl)-1-phenylmethanimine;uranium(2+) (PubChem CID 163961870) has the molecular formula C19H20FN3U and a molecular weight of 547.42 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-N-(3-fluorobenzene-6-id-1-yl)-1-phenylmethanimine;uranium(2+).

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-N-(3-fluorobenzene-6-id-1-yl)-1-phenylmethanimine;uranium(2+)
PubChem CID163961870
Molecular FormulaC19H20FN3U
Molecular Weight547.42 g/mol
Exact Mass547.21
IUPAC Name1-(4-ethylpiperazin-1-yl)-N-(3-fluorobenzene-6-id-1-yl)-1-phenylmethanimine;uranium(2+)
SMILESCCN1CCN(/C(=N/c2[c-]ccc(F)c2)c2[c-]cccc2)CC1.[U+2]
InChIInChI=1S/C19H20FN3.U/c1-2-22-11-13-23(14-12-22)19(16-7-4-3-5-8-16)21-18-10-6-9-17(20)15-18;/h3-7,9,15H,2,11-14H2,1H3;/q-2;+2/b21-19+;
InChIKeyIVCLGRDGQHBOFG-UXJRWBAGSA-N
XLogP3.14
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-N-(3-fluorobenzene-6-id-1-yl)-1-phenylmethanimine;uranium(2+)?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-N-(3-fluorobenzene-6-id-1-yl)-1-phenylmethanimine;uranium(2+) (CID 163961870) is 1-(4-ethylpiperazin-1-yl)-N-(3-fluorobenzene-6-id-1-yl)-1-phenylmethanimine;uranium(2+).
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-N-(3-fluorobenzene-6-id-1-yl)-1-phenylmethanimine;uranium(2+)?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-N-(3-fluorobenzene-6-id-1-yl)-1-phenylmethanimine;uranium(2+) is CCN1CCN(/C(=N/c2[c-]ccc(F)c2)c2[c-]cccc2)CC1.[U+2].
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-N-(3-fluorobenzene-6-id-1-yl)-1-phenylmethanimine;uranium(2+)?
The InChIKey is IVCLGRDGQHBOFG-UXJRWBAGSA-N. The full InChI is InChI=1S/C19H20FN3.U/c1-2-22-11-13-23(14-12-22)19(16-7-4-3-5-8-16)21-18-10-6-9-17(20)15-18;/h3-7,9,15H,2,11-14H2,1H3;/q-2;+2/b21-19+;.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-N-(3-fluorobenzene-6-id-1-yl)-1-phenylmethanimine;uranium(2+)?
1-(4-ethylpiperazin-1-yl)-N-(3-fluorobenzene-6-id-1-yl)-1-phenylmethanimine;uranium(2+) has a molecular weight of 547.42 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-N-(3-fluorobenzene-6-id-1-yl)-1-phenylmethanimine;uranium(2+) is sourced from PubChem (CID 163961870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).