(4E)-3-benzyl-4-hydroxyimino-2,6-diphenylpiperidine-1-carbaldehyde

C25H24N2O2 — CID 16724601

IUPAC(4E)-3-benzyl-4-hydroxyimino-2,6-diphenylpiperidine-1-carbaldehyde
SMILESO=CN1C(c2ccccc2)C/C(=N\O)C(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C25H24N2O2/c28-18-27-24(20-12-6-2-7-13-20)17-23(26-29)22(16-19-10-4-1-5-11-19)25(27)21-14-8-3-9-15-21/h1-15,18,22,24-25,29H,16-17H2/b26-23+
InChIKeyCGRPEQXTGWKEMS-WNAAXNPUSA-N
MW384.48 g/mol
LogP5.02
Rot. Bonds5

About (4E)-3-benzyl-4-hydroxyimino-2,6-diphenylpiperidine-1-carbaldehyde

(4E)-3-benzyl-4-hydroxyimino-2,6-diphenylpiperidine-1-carbaldehyde (PubChem CID 16724601) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (4E)-3-benzyl-4-hydroxyimino-2,6-diphenylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name(4E)-3-benzyl-4-hydroxyimino-2,6-diphenylpiperidine-1-carbaldehyde
PubChem CID16724601
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name(4E)-3-benzyl-4-hydroxyimino-2,6-diphenylpiperidine-1-carbaldehyde
SMILESO=CN1C(c2ccccc2)C/C(=N\O)C(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C25H24N2O2/c28-18-27-24(20-12-6-2-7-13-20)17-23(26-29)22(16-19-10-4-1-5-11-19)25(27)21-14-8-3-9-15-21/h1-15,18,22,24-25,29H,16-17H2/b26-23+
InChIKeyCGRPEQXTGWKEMS-WNAAXNPUSA-N
XLogP5.02
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (4E)-3-benzyl-4-hydroxyimino-2,6-diphenylpiperidine-1-carbaldehyde?
The IUPAC name of (4E)-3-benzyl-4-hydroxyimino-2,6-diphenylpiperidine-1-carbaldehyde (CID 16724601) is (4E)-3-benzyl-4-hydroxyimino-2,6-diphenylpiperidine-1-carbaldehyde.
What is the SMILES notation for (4E)-3-benzyl-4-hydroxyimino-2,6-diphenylpiperidine-1-carbaldehyde?
The canonical SMILES for (4E)-3-benzyl-4-hydroxyimino-2,6-diphenylpiperidine-1-carbaldehyde is O=CN1C(c2ccccc2)C/C(=N\O)C(Cc2ccccc2)C1c1ccccc1.
What is the InChIKey of (4E)-3-benzyl-4-hydroxyimino-2,6-diphenylpiperidine-1-carbaldehyde?
The InChIKey is CGRPEQXTGWKEMS-WNAAXNPUSA-N. The full InChI is InChI=1S/C25H24N2O2/c28-18-27-24(20-12-6-2-7-13-20)17-23(26-29)22(16-19-10-4-1-5-11-19)25(27)21-14-8-3-9-15-21/h1-15,18,22,24-25,29H,16-17H2/b26-23+.
What are the key properties of (4E)-3-benzyl-4-hydroxyimino-2,6-diphenylpiperidine-1-carbaldehyde?
(4E)-3-benzyl-4-hydroxyimino-2,6-diphenylpiperidine-1-carbaldehyde has a molecular weight of 384.48 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-benzyl-4-hydroxyimino-2,6-diphenylpiperidine-1-carbaldehyde is sourced from PubChem (CID 16724601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).