N-[(2S,6R)-1-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine

C18H20N2O — CID 873157

IUPACN-[(2S,6R)-1-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
SMILESCN1[C@@H](c2ccccc2)C/C(=N/O)C[C@H]1c1ccccc1
InChIInChI=1S/C18H20N2O/c1-20-17(14-8-4-2-5-9-14)12-16(19-21)13-18(20)15-10-6-3-7-11-15/h2-11,17-18,21H,12-13H2,1H3/b19-16-/t17-,18+/m1/s1
InChIKeyPBJCHMDKVHLZPM-BODOZKESSA-N
MW280.37 g/mol
LogP4.02
Rot. Bonds2

About N-[(2S,6R)-1-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine

N-[(2S,6R)-1-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine (PubChem CID 873157) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(2S,6R)-1-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2S,6R)-1-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
PubChem CID873157
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[(2S,6R)-1-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
SMILESCN1[C@@H](c2ccccc2)C/C(=N/O)C[C@H]1c1ccccc1
InChIInChI=1S/C18H20N2O/c1-20-17(14-8-4-2-5-9-14)12-16(19-21)13-18(20)15-10-6-3-7-11-15/h2-11,17-18,21H,12-13H2,1H3/b19-16-/t17-,18+/m1/s1
InChIKeyPBJCHMDKVHLZPM-BODOZKESSA-N
XLogP4.02
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.02
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 N-[(2S,6R)-1-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[(2S,6R)-1-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine (CID 873157) is N-[(2S,6R)-1-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[(2S,6R)-1-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[(2S,6R)-1-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine is CN1[C@@H](c2ccccc2)C/C(=N/O)C[C@H]1c1ccccc1.
What is the InChIKey of N-[(2S,6R)-1-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is PBJCHMDKVHLZPM-BODOZKESSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20-17(14-8-4-2-5-9-14)12-16(19-21)13-18(20)15-10-6-3-7-11-15/h2-11,17-18,21H,12-13H2,1H3/b19-16-/t17-,18+/m1/s1.
What are the key properties of N-[(2S,6R)-1-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine?
N-[(2S,6R)-1-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 280.37 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,6R)-1-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 873157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).