(NE)-N-(1-methyl-2,3,6-triphenylpiperidin-4-ylidene)hydroxylamine

C24H24N2O — CID 6043467

IUPAC(NE)-N-(1-methyl-2,3,6-triphenylpiperidin-4-ylidene)hydroxylamine
SMILESCN1C(c2ccccc2)C/C(=N\O)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H24N2O/c1-26-22(18-11-5-2-6-12-18)17-21(25-27)23(19-13-7-3-8-14-19)24(26)20-15-9-4-10-16-20/h2-16,22-24,27H,17H2,1H3/b25-21+
InChIKeyIZKDZFQLDMSHKG-NJNXFGOHSA-N
MW356.47 g/mol
LogP5.42
Rot. Bonds3

About (NE)-N-(1-methyl-2,3,6-triphenylpiperidin-4-ylidene)hydroxylamine

(NE)-N-(1-methyl-2,3,6-triphenylpiperidin-4-ylidene)hydroxylamine (PubChem CID 6043467) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is (NE)-N-(1-methyl-2,3,6-triphenylpiperidin-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-methyl-2,3,6-triphenylpiperidin-4-ylidene)hydroxylamine
PubChem CID6043467
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name(NE)-N-(1-methyl-2,3,6-triphenylpiperidin-4-ylidene)hydroxylamine
SMILESCN1C(c2ccccc2)C/C(=N\O)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H24N2O/c1-26-22(18-11-5-2-6-12-18)17-21(25-27)23(19-13-7-3-8-14-19)24(26)20-15-9-4-10-16-20/h2-16,22-24,27H,17H2,1H3/b25-21+
InChIKeyIZKDZFQLDMSHKG-NJNXFGOHSA-N
XLogP5.42
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.42
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-(1-methyl-2,3,6-triphenylpiperidin-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-methyl-2,3,6-triphenylpiperidin-4-ylidene)hydroxylamine (CID 6043467) is (NE)-N-(1-methyl-2,3,6-triphenylpiperidin-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-methyl-2,3,6-triphenylpiperidin-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-methyl-2,3,6-triphenylpiperidin-4-ylidene)hydroxylamine is CN1C(c2ccccc2)C/C(=N\O)C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of (NE)-N-(1-methyl-2,3,6-triphenylpiperidin-4-ylidene)hydroxylamine?
The InChIKey is IZKDZFQLDMSHKG-NJNXFGOHSA-N. The full InChI is InChI=1S/C24H24N2O/c1-26-22(18-11-5-2-6-12-18)17-21(25-27)23(19-13-7-3-8-14-19)24(26)20-15-9-4-10-16-20/h2-16,22-24,27H,17H2,1H3/b25-21+.
What are the key properties of (NE)-N-(1-methyl-2,3,6-triphenylpiperidin-4-ylidene)hydroxylamine?
(NE)-N-(1-methyl-2,3,6-triphenylpiperidin-4-ylidene)hydroxylamine has a molecular weight of 356.47 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-methyl-2,3,6-triphenylpiperidin-4-ylidene)hydroxylamine is sourced from PubChem (CID 6043467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).