(NE)-N-[phenyl(piperidin-1-yl)methylidene]hydroxylamine

C12H16N2O — CID 5367900

IUPAC(NE)-N-[phenyl(piperidin-1-yl)methylidene]hydroxylamine
SMILESO/N=C(\c1ccccc1)N1CCCCC1
InChIInChI=1S/C12H16N2O/c15-13-12(11-7-3-1-4-8-11)14-9-5-2-6-10-14/h1,3-4,7-8,15H,2,5-6,9-10H2/b13-12+
InChIKeyUVXXXESJTHCKLS-OUKQBFOZSA-N
MW204.27 g/mol
LogP2.31
Rot. Bonds1

About (NE)-N-[phenyl(piperidin-1-yl)methylidene]hydroxylamine

(NE)-N-[phenyl(piperidin-1-yl)methylidene]hydroxylamine (PubChem CID 5367900) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (NE)-N-[phenyl(piperidin-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[phenyl(piperidin-1-yl)methylidene]hydroxylamine
PubChem CID5367900
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(NE)-N-[phenyl(piperidin-1-yl)methylidene]hydroxylamine
SMILESO/N=C(\c1ccccc1)N1CCCCC1
InChIInChI=1S/C12H16N2O/c15-13-12(11-7-3-1-4-8-11)14-9-5-2-6-10-14/h1,3-4,7-8,15H,2,5-6,9-10H2/b13-12+
InChIKeyUVXXXESJTHCKLS-OUKQBFOZSA-N
XLogP2.31
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze (NE)-N-[phenyl(piperidin-1-yl)methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[phenyl(piperidin-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[phenyl(piperidin-1-yl)methylidene]hydroxylamine (CID 5367900) is (NE)-N-[phenyl(piperidin-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[phenyl(piperidin-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[phenyl(piperidin-1-yl)methylidene]hydroxylamine is O/N=C(\c1ccccc1)N1CCCCC1.
What is the InChIKey of (NE)-N-[phenyl(piperidin-1-yl)methylidene]hydroxylamine?
The InChIKey is UVXXXESJTHCKLS-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H16N2O/c15-13-12(11-7-3-1-4-8-11)14-9-5-2-6-10-14/h1,3-4,7-8,15H,2,5-6,9-10H2/b13-12+.
What are the key properties of (NE)-N-[phenyl(piperidin-1-yl)methylidene]hydroxylamine?
(NE)-N-[phenyl(piperidin-1-yl)methylidene]hydroxylamine has a molecular weight of 204.27 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[phenyl(piperidin-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 5367900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).