(NE)-N-[2-(2,6-dimethylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine

C15H22N2O — CID 15744660

IUPAC(NE)-N-[2-(2,6-dimethylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine
SMILESCC1CCCC(C)N1C/C(=N/O)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-12-7-6-8-13(2)17(12)11-15(16-18)14-9-4-3-5-10-14/h3-5,9-10,12-13,18H,6-8,11H2,1-2H3/b16-15-
InChIKeyLTADKRHYYXSPLT-NXVVXOECSA-N
MW246.35 g/mol
LogP3.13
Rot. Bonds3

About (NE)-N-[2-(2,6-dimethylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine

(NE)-N-[2-(2,6-dimethylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine (PubChem CID 15744660) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (NE)-N-[2-(2,6-dimethylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(2,6-dimethylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine
PubChem CID15744660
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(NE)-N-[2-(2,6-dimethylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine
SMILESCC1CCCC(C)N1C/C(=N/O)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-12-7-6-8-13(2)17(12)11-15(16-18)14-9-4-3-5-10-14/h3-5,9-10,12-13,18H,6-8,11H2,1-2H3/b16-15-
InChIKeyLTADKRHYYXSPLT-NXVVXOECSA-N
XLogP3.13
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[2-(2,6-dimethylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(2,6-dimethylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine (CID 15744660) is (NE)-N-[2-(2,6-dimethylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(2,6-dimethylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(2,6-dimethylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine is CC1CCCC(C)N1C/C(=N/O)c1ccccc1.
What is the InChIKey of (NE)-N-[2-(2,6-dimethylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine?
The InChIKey is LTADKRHYYXSPLT-NXVVXOECSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-7-6-8-13(2)17(12)11-15(16-18)14-9-4-3-5-10-14/h3-5,9-10,12-13,18H,6-8,11H2,1-2H3/b16-15-.
What are the key properties of (NE)-N-[2-(2,6-dimethylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine?
(NE)-N-[2-(2,6-dimethylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine has a molecular weight of 246.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(2,6-dimethylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine is sourced from PubChem (CID 15744660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).