N-(3,5-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine

C19H22N2O — CID 2854422

IUPACN-(3,5-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine
SMILESCC1C(=NO)C(C)C(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C19H22N2O/c1-13-17(21-22)14(2)19(16-11-7-4-8-12-16)20-18(13)15-9-5-3-6-10-15/h3-14,18-20,22H,1-2H3
InChIKeyXIRQHDWKOLWYKM-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.17
Rot. Bonds2

About N-(3,5-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine

N-(3,5-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine (PubChem CID 2854422) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(3,5-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3,5-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine
PubChem CID2854422
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-(3,5-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine
SMILESCC1C(=NO)C(C)C(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C19H22N2O/c1-13-17(21-22)14(2)19(16-11-7-4-8-12-16)20-18(13)15-9-5-3-6-10-15/h3-14,18-20,22H,1-2H3
InChIKeyXIRQHDWKOLWYKM-UHFFFAOYSA-N
XLogP4.17
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.17
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 N-(3,5-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine?
The IUPAC name of N-(3,5-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine (CID 2854422) is N-(3,5-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(3,5-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine?
The canonical SMILES for N-(3,5-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine is CC1C(=NO)C(C)C(c2ccccc2)NC1c1ccccc1.
What is the InChIKey of N-(3,5-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine?
The InChIKey is XIRQHDWKOLWYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13-17(21-22)14(2)19(16-11-7-4-8-12-16)20-18(13)15-9-5-3-6-10-15/h3-14,18-20,22H,1-2H3.
What are the key properties of N-(3,5-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine?
N-(3,5-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine has a molecular weight of 294.40 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine is sourced from PubChem (CID 2854422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).