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

C20H24N2O — CID 5333964

IUPAC(NE)-N-(2,6-diphenyl-3-propylpiperidin-4-ylidene)hydroxylamine
SMILESCCCC1/C(=N/O)CC(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C20H24N2O/c1-2-9-17-19(22-23)14-18(15-10-5-3-6-11-15)21-20(17)16-12-7-4-8-13-16/h3-8,10-13,17-18,20-21,23H,2,9,14H2,1H3/b22-19+
InChIKeyUWBQKEUMMHOFLM-ZBJSNUHESA-N
MW308.43 g/mol
LogP4.71
Rot. Bonds4

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

(NE)-N-(2,6-diphenyl-3-propylpiperidin-4-ylidene)hydroxylamine (PubChem CID 5333964) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (NE)-N-(2,6-diphenyl-3-propylpiperidin-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2,6-diphenyl-3-propylpiperidin-4-ylidene)hydroxylamine
PubChem CID5333964
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(NE)-N-(2,6-diphenyl-3-propylpiperidin-4-ylidene)hydroxylamine
SMILESCCCC1/C(=N/O)CC(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C20H24N2O/c1-2-9-17-19(22-23)14-18(15-10-5-3-6-11-15)21-20(17)16-12-7-4-8-13-16/h3-8,10-13,17-18,20-21,23H,2,9,14H2,1H3/b22-19+
InChIKeyUWBQKEUMMHOFLM-ZBJSNUHESA-N
XLogP4.71
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.71
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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2,6-diphenyl-3-propylpiperidin-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2,6-diphenyl-3-propylpiperidin-4-ylidene)hydroxylamine (CID 5333964) is (NE)-N-(2,6-diphenyl-3-propylpiperidin-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2,6-diphenyl-3-propylpiperidin-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2,6-diphenyl-3-propylpiperidin-4-ylidene)hydroxylamine is CCCC1/C(=N/O)CC(c2ccccc2)NC1c1ccccc1.
What is the InChIKey of (NE)-N-(2,6-diphenyl-3-propylpiperidin-4-ylidene)hydroxylamine?
The InChIKey is UWBQKEUMMHOFLM-ZBJSNUHESA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-9-17-19(22-23)14-18(15-10-5-3-6-11-15)21-20(17)16-12-7-4-8-13-16/h3-8,10-13,17-18,20-21,23H,2,9,14H2,1H3/b22-19+.
What are the key properties of (NE)-N-(2,6-diphenyl-3-propylpiperidin-4-ylidene)hydroxylamine?
(NE)-N-(2,6-diphenyl-3-propylpiperidin-4-ylidene)hydroxylamine has a molecular weight of 308.43 g/mol, XLogP of 4.71, 4 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-propylpiperidin-4-ylidene)hydroxylamine is sourced from PubChem (CID 5333964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).