(NE)-N-(2,6-diphenyl-3-propan-2-ylpiperidin-4-ylidene)hydroxylamine

C20H24N2O — CID 5339658

IUPAC(NE)-N-(2,6-diphenyl-3-propan-2-ylpiperidin-4-ylidene)hydroxylamine
SMILESCC(C)C1/C(=N/O)CC(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C20H24N2O/c1-14(2)19-18(22-23)13-17(15-9-5-3-6-10-15)21-20(19)16-11-7-4-8-12-16/h3-12,14,17,19-21,23H,13H2,1-2H3/b22-18+
InChIKeyXLYIKINYBVURBX-RELWKKBWSA-N
MW308.43 g/mol
LogP4.56
Rot. Bonds3

About (NE)-N-(2,6-diphenyl-3-propan-2-ylpiperidin-4-ylidene)hydroxylamine

(NE)-N-(2,6-diphenyl-3-propan-2-ylpiperidin-4-ylidene)hydroxylamine (PubChem CID 5339658) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (NE)-N-(2,6-diphenyl-3-propan-2-ylpiperidin-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2,6-diphenyl-3-propan-2-ylpiperidin-4-ylidene)hydroxylamine
PubChem CID5339658
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(NE)-N-(2,6-diphenyl-3-propan-2-ylpiperidin-4-ylidene)hydroxylamine
SMILESCC(C)C1/C(=N/O)CC(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C20H24N2O/c1-14(2)19-18(22-23)13-17(15-9-5-3-6-10-15)21-20(19)16-11-7-4-8-12-16/h3-12,14,17,19-21,23H,13H2,1-2H3/b22-18+
InChIKeyXLYIKINYBVURBX-RELWKKBWSA-N
XLogP4.56
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.56
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 (NE)-N-(2,6-diphenyl-3-propan-2-ylpiperidin-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 (NE)-N-(2,6-diphenyl-3-propan-2-ylpiperidin-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2,6-diphenyl-3-propan-2-ylpiperidin-4-ylidene)hydroxylamine (CID 5339658) is (NE)-N-(2,6-diphenyl-3-propan-2-ylpiperidin-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2,6-diphenyl-3-propan-2-ylpiperidin-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2,6-diphenyl-3-propan-2-ylpiperidin-4-ylidene)hydroxylamine is CC(C)C1/C(=N/O)CC(c2ccccc2)NC1c1ccccc1.
What is the InChIKey of (NE)-N-(2,6-diphenyl-3-propan-2-ylpiperidin-4-ylidene)hydroxylamine?
The InChIKey is XLYIKINYBVURBX-RELWKKBWSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14(2)19-18(22-23)13-17(15-9-5-3-6-10-15)21-20(19)16-11-7-4-8-12-16/h3-12,14,17,19-21,23H,13H2,1-2H3/b22-18+.
What are the key properties of (NE)-N-(2,6-diphenyl-3-propan-2-ylpiperidin-4-ylidene)hydroxylamine?
(NE)-N-(2,6-diphenyl-3-propan-2-ylpiperidin-4-ylidene)hydroxylamine has a molecular weight of 308.43 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2,6-diphenyl-3-propan-2-ylpiperidin-4-ylidene)hydroxylamine is sourced from PubChem (CID 5339658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).