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

C21H26N2O — CID 2729796

IUPACN-(3,5-diethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine
SMILESCCC1C(=NO)C(CC)C(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C21H26N2O/c1-3-17-19(15-11-7-5-8-12-15)22-20(16-13-9-6-10-14-16)18(4-2)21(17)23-24/h5-14,17-20,22,24H,3-4H2,1-2H3
InChIKeyCKEIFXSNZGOKPW-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.95
Rot. Bonds4

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

N-(3,5-diethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine (PubChem CID 2729796) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(3,5-diethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3,5-diethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine
PubChem CID2729796
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-(3,5-diethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine
SMILESCCC1C(=NO)C(CC)C(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C21H26N2O/c1-3-17-19(15-11-7-5-8-12-15)22-20(16-13-9-6-10-14-16)18(4-2)21(17)23-24/h5-14,17-20,22,24H,3-4H2,1-2H3
InChIKeyCKEIFXSNZGOKPW-UHFFFAOYSA-N
XLogP4.95
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.95
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-diethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine?
The IUPAC name of N-(3,5-diethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine (CID 2729796) is N-(3,5-diethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(3,5-diethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine?
The canonical SMILES for N-(3,5-diethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine is CCC1C(=NO)C(CC)C(c2ccccc2)NC1c1ccccc1.
What is the InChIKey of N-(3,5-diethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine?
The InChIKey is CKEIFXSNZGOKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-3-17-19(15-11-7-5-8-12-15)22-20(16-13-9-6-10-14-16)18(4-2)21(17)23-24/h5-14,17-20,22,24H,3-4H2,1-2H3.
What are the key properties of N-(3,5-diethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine?
N-(3,5-diethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine has a molecular weight of 322.45 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine is sourced from PubChem (CID 2729796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).