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

C18H20N2O — CID 5333927

IUPAC(NE)-N-(3-methyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine
SMILESCC1/C(=N/O)CC(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C18H20N2O/c1-13-16(20-21)12-17(14-8-4-2-5-9-14)19-18(13)15-10-6-3-7-11-15/h2-11,13,17-19,21H,12H2,1H3/b20-16+
InChIKeyMKDXFVQSWSAIDD-CAPFRKAQSA-N
MW280.37 g/mol
LogP3.93
Rot. Bonds2

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

(NE)-N-(3-methyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine (PubChem CID 5333927) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (NE)-N-(3-methyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3-methyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine
PubChem CID5333927
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(NE)-N-(3-methyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine
SMILESCC1/C(=N/O)CC(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C18H20N2O/c1-13-16(20-21)12-17(14-8-4-2-5-9-14)19-18(13)15-10-6-3-7-11-15/h2-11,13,17-19,21H,12H2,1H3/b20-16+
InChIKeyMKDXFVQSWSAIDD-CAPFRKAQSA-N
XLogP3.93
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.93
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-(3-methyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3-methyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine (CID 5333927) is (NE)-N-(3-methyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3-methyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3-methyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine is CC1/C(=N/O)CC(c2ccccc2)NC1c1ccccc1.
What is the InChIKey of (NE)-N-(3-methyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine?
The InChIKey is MKDXFVQSWSAIDD-CAPFRKAQSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-16(20-21)12-17(14-8-4-2-5-9-14)19-18(13)15-10-6-3-7-11-15/h2-11,13,17-19,21H,12H2,1H3/b20-16+.
What are the key properties of (NE)-N-(3-methyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine?
(NE)-N-(3-methyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine has a molecular weight of 280.37 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-methyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine is sourced from PubChem (CID 5333927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).