N-(3-benzyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine

C24H24N2O — CID 3089029

IUPACN-(3-benzyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine
SMILESON=C1CC(c2ccccc2)NC(c2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C24H24N2O/c27-26-23-17-22(19-12-6-2-7-13-19)25-24(20-14-8-3-9-15-20)21(23)16-18-10-4-1-5-11-18/h1-15,21-22,24-25,27H,16-17H2
InChIKeyODMJIIJUJAYBCI-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.15
Rot. Bonds4

About N-(3-benzyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine

N-(3-benzyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine (PubChem CID 3089029) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(3-benzyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-benzyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine
PubChem CID3089029
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC NameN-(3-benzyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine
SMILESON=C1CC(c2ccccc2)NC(c2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C24H24N2O/c27-26-23-17-22(19-12-6-2-7-13-19)25-24(20-14-8-3-9-15-20)21(23)16-18-10-4-1-5-11-18/h1-15,21-22,24-25,27H,16-17H2
InChIKeyODMJIIJUJAYBCI-UHFFFAOYSA-N
XLogP5.15
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.15
H-Bond Donors ≤ 52
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'}

Analyze N-(3-benzyl-2,6-diphenylpiperidin-4-ylidene)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 N-(3-benzyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine?
The IUPAC name of N-(3-benzyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine (CID 3089029) is N-(3-benzyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(3-benzyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine?
The canonical SMILES for N-(3-benzyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine is ON=C1CC(c2ccccc2)NC(c2ccccc2)C1Cc1ccccc1.
What is the InChIKey of N-(3-benzyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine?
The InChIKey is ODMJIIJUJAYBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c27-26-23-17-22(19-12-6-2-7-13-19)25-24(20-14-8-3-9-15-20)21(23)16-18-10-4-1-5-11-18/h1-15,21-22,24-25,27H,16-17H2.
What are the key properties of N-(3-benzyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine?
N-(3-benzyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine has a molecular weight of 356.47 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine is sourced from PubChem (CID 3089029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).