(NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine

C14H17FN4O — CID 135401415

IUPAC(NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine
SMILESO/N=C/C(=N\N=C\N1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C14H17FN4O/c15-13-6-4-12(5-7-13)14(10-17-20)18-16-11-19-8-2-1-3-9-19/h4-7,10-11,20H,1-3,8-9H2/b16-11+,17-10+,18-14+
InChIKeyMQJBJLZQNUUQDB-HGAGMUQNSA-N
MW276.31 g/mol
LogP2.50
Rot. Bonds4

About (NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine

(NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine (PubChem CID 135401415) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is (NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine
PubChem CID135401415
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name(NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine
SMILESO/N=C/C(=N\N=C\N1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C14H17FN4O/c15-13-6-4-12(5-7-13)14(10-17-20)18-16-11-19-8-2-1-3-9-19/h4-7,10-11,20H,1-3,8-9H2/b16-11+,17-10+,18-14+
InChIKeyMQJBJLZQNUUQDB-HGAGMUQNSA-N
XLogP2.50
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine (CID 135401415) is (NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine is O/N=C/C(=N\N=C\N1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of (NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine?
The InChIKey is MQJBJLZQNUUQDB-HGAGMUQNSA-N. The full InChI is InChI=1S/C14H17FN4O/c15-13-6-4-12(5-7-13)14(10-17-20)18-16-11-19-8-2-1-3-9-19/h4-7,10-11,20H,1-3,8-9H2/b16-11+,17-10+,18-14+.
What are the key properties of (NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine?
(NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine has a molecular weight of 276.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2Z)-2-(4-fluorophenyl)-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine is sourced from PubChem (CID 135401415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).