N-[(2R,3S,6S)-3-benzyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine

C24H24N2O — CID 7073015

IUPACN-[(2R,3S,6S)-3-benzyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
SMILESON=C1C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C24H24N2O/c27-26-23-17-22(19-12-6-2-7-13-19)25-24(20-14-8-3-9-15-20)21(23)16-18-10-4-1-5-11-18/h1-15,21-22,24-25,27H,16-17H2/t21-,22+,24+/m1/s1
InChIKeyODMJIIJUJAYBCI-GPXNEJASSA-N
MW356.47 g/mol
LogP5.15
Rot. Bonds4

About N-[(2R,3S,6S)-3-benzyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine

N-[(2R,3S,6S)-3-benzyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine (PubChem CID 7073015) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(2R,3S,6S)-3-benzyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2R,3S,6S)-3-benzyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
PubChem CID7073015
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC NameN-[(2R,3S,6S)-3-benzyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
SMILESON=C1C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C24H24N2O/c27-26-23-17-22(19-12-6-2-7-13-19)25-24(20-14-8-3-9-15-20)21(23)16-18-10-4-1-5-11-18/h1-15,21-22,24-25,27H,16-17H2/t21-,22+,24+/m1/s1
InChIKeyODMJIIJUJAYBCI-GPXNEJASSA-N
XLogP5.15
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.15
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-[(2R,3S,6S)-3-benzyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[(2R,3S,6S)-3-benzyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine (CID 7073015) is N-[(2R,3S,6S)-3-benzyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[(2R,3S,6S)-3-benzyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[(2R,3S,6S)-3-benzyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine is ON=C1C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1Cc1ccccc1.
What is the InChIKey of N-[(2R,3S,6S)-3-benzyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is ODMJIIJUJAYBCI-GPXNEJASSA-N. The full InChI is InChI=1S/C24H24N2O/c27-26-23-17-22(19-12-6-2-7-13-19)25-24(20-14-8-3-9-15-20)21(23)16-18-10-4-1-5-11-18/h1-15,21-22,24-25,27H,16-17H2/t21-,22+,24+/m1/s1.
What are the key properties of N-[(2R,3S,6S)-3-benzyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine?
N-[(2R,3S,6S)-3-benzyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 356.47 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,6S)-3-benzyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 7073015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).