(NE)-N-(1,3-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine

C19H22N2O — CID 5333825

IUPAC(NE)-N-(1,3-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine
SMILESCC1/C(=N/O)CC(c2ccccc2)N(C)C1c1ccccc1
InChIInChI=1S/C19H22N2O/c1-14-17(20-22)13-18(15-9-5-3-6-10-15)21(2)19(14)16-11-7-4-8-12-16/h3-12,14,18-19,22H,13H2,1-2H3/b20-17+
InChIKeyWRZFUOOSXMQGBT-LVZFUZTISA-N
MW294.40 g/mol
LogP4.27
Rot. Bonds2

About (NE)-N-(1,3-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine

(NE)-N-(1,3-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine (PubChem CID 5333825) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (NE)-N-(1,3-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1,3-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine
PubChem CID5333825
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(NE)-N-(1,3-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine
SMILESCC1/C(=N/O)CC(c2ccccc2)N(C)C1c1ccccc1
InChIInChI=1S/C19H22N2O/c1-14-17(20-22)13-18(15-9-5-3-6-10-15)21(2)19(14)16-11-7-4-8-12-16/h3-12,14,18-19,22H,13H2,1-2H3/b20-17+
InChIKeyWRZFUOOSXMQGBT-LVZFUZTISA-N
XLogP4.27
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
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-(1,3-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1,3-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine (CID 5333825) is (NE)-N-(1,3-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1,3-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1,3-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine is CC1/C(=N/O)CC(c2ccccc2)N(C)C1c1ccccc1.
What is the InChIKey of (NE)-N-(1,3-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine?
The InChIKey is WRZFUOOSXMQGBT-LVZFUZTISA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-17(20-22)13-18(15-9-5-3-6-10-15)21(2)19(14)16-11-7-4-8-12-16/h3-12,14,18-19,22H,13H2,1-2H3/b20-17+.
What are the key properties of (NE)-N-(1,3-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine?
(NE)-N-(1,3-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine has a molecular weight of 294.40 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1,3-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine is sourced from PubChem (CID 5333825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).