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

C14H18N4O — CID 135401413

IUPAC(NE)-N-[(2Z)-2-phenyl-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine
SMILESO/N=C/C(=N\N=C\N1CCCCC1)c1ccccc1
InChIInChI=1S/C14H18N4O/c19-16-11-14(13-7-3-1-4-8-13)17-15-12-18-9-5-2-6-10-18/h1,3-4,7-8,11-12,19H,2,5-6,9-10H2/b15-12+,16-11+,17-14+
InChIKeyRMRUKQISIPAHGI-LTXKTNOBSA-N
MW258.32 g/mol
LogP2.36
Rot. Bonds4

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

(NE)-N-[(2Z)-2-phenyl-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine (PubChem CID 135401413) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (NE)-N-[(2Z)-2-phenyl-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2Z)-2-phenyl-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine
PubChem CID135401413
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(NE)-N-[(2Z)-2-phenyl-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine
SMILESO/N=C/C(=N\N=C\N1CCCCC1)c1ccccc1
InChIInChI=1S/C14H18N4O/c19-16-11-14(13-7-3-1-4-8-13)17-15-12-18-9-5-2-6-10-18/h1,3-4,7-8,11-12,19H,2,5-6,9-10H2/b15-12+,16-11+,17-14+
InChIKeyRMRUKQISIPAHGI-LTXKTNOBSA-N
XLogP2.36
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.36
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-phenyl-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2Z)-2-phenyl-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine (CID 135401413) is (NE)-N-[(2Z)-2-phenyl-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2Z)-2-phenyl-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2Z)-2-phenyl-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine is O/N=C/C(=N\N=C\N1CCCCC1)c1ccccc1.
What is the InChIKey of (NE)-N-[(2Z)-2-phenyl-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine?
The InChIKey is RMRUKQISIPAHGI-LTXKTNOBSA-N. The full InChI is InChI=1S/C14H18N4O/c19-16-11-14(13-7-3-1-4-8-13)17-15-12-18-9-5-2-6-10-18/h1,3-4,7-8,11-12,19H,2,5-6,9-10H2/b15-12+,16-11+,17-14+.
What are the key properties of (NE)-N-[(2Z)-2-phenyl-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine?
(NE)-N-[(2Z)-2-phenyl-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine has a molecular weight of 258.32 g/mol, XLogP of 2.36, 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-phenyl-2-[(E)-piperidin-1-ylmethylidenehydrazinylidene]ethylidene]hydroxylamine is sourced from PubChem (CID 135401413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).