(NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-(4-methylpiperazin-1-yl)methylidenehydrazinylidene]ethylidene]hydroxylamine

C14H18FN5O — CID 135401414

IUPAC(NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-(4-methylpiperazin-1-yl)methylidenehydrazinylidene]ethylidene]hydroxylamine
SMILESCN1CCN(/C=N/N=C(\C=N\O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FN5O/c1-19-6-8-20(9-7-19)11-16-18-14(10-17-21)12-2-4-13(15)5-3-12/h2-5,10-11,21H,6-9H2,1H3/b16-11+,17-10+,18-14+
InChIKeyINUFOHADAFDARY-HGAGMUQNSA-N
MW291.33 g/mol
LogP1.27
Rot. Bonds4

About (NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-(4-methylpiperazin-1-yl)methylidenehydrazinylidene]ethylidene]hydroxylamine

(NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-(4-methylpiperazin-1-yl)methylidenehydrazinylidene]ethylidene]hydroxylamine (PubChem CID 135401414) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is (NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-(4-methylpiperazin-1-yl)methylidenehydrazinylidene]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-(4-methylpiperazin-1-yl)methylidenehydrazinylidene]ethylidene]hydroxylamine
PubChem CID135401414
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name(NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-(4-methylpiperazin-1-yl)methylidenehydrazinylidene]ethylidene]hydroxylamine
SMILESCN1CCN(/C=N/N=C(\C=N\O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FN5O/c1-19-6-8-20(9-7-19)11-16-18-14(10-17-21)12-2-4-13(15)5-3-12/h2-5,10-11,21H,6-9H2,1H3/b16-11+,17-10+,18-14+
InChIKeyINUFOHADAFDARY-HGAGMUQNSA-N
XLogP1.27
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-(4-methylpiperazin-1-yl)methylidenehydrazinylidene]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-(4-methylpiperazin-1-yl)methylidenehydrazinylidene]ethylidene]hydroxylamine (CID 135401414) is (NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-(4-methylpiperazin-1-yl)methylidenehydrazinylidene]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-(4-methylpiperazin-1-yl)methylidenehydrazinylidene]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-(4-methylpiperazin-1-yl)methylidenehydrazinylidene]ethylidene]hydroxylamine is CN1CCN(/C=N/N=C(\C=N\O)c2ccc(F)cc2)CC1.
What is the InChIKey of (NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-(4-methylpiperazin-1-yl)methylidenehydrazinylidene]ethylidene]hydroxylamine?
The InChIKey is INUFOHADAFDARY-HGAGMUQNSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-19-6-8-20(9-7-19)11-16-18-14(10-17-21)12-2-4-13(15)5-3-12/h2-5,10-11,21H,6-9H2,1H3/b16-11+,17-10+,18-14+.
What are the key properties of (NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-(4-methylpiperazin-1-yl)methylidenehydrazinylidene]ethylidene]hydroxylamine?
(NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-(4-methylpiperazin-1-yl)methylidenehydrazinylidene]ethylidene]hydroxylamine has a molecular weight of 291.33 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-(4-methylpiperazin-1-yl)methylidenehydrazinylidene]ethylidene]hydroxylamine is sourced from PubChem (CID 135401414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).