(E)-3-ethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine

C26H28N2O — CID 45272106

IUPAC(E)-3-ethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine
SMILESCCC1/C(=N/OCc2ccccc2)CC(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C26H28N2O/c1-2-23-25(28-29-19-20-12-6-3-7-13-20)18-24(21-14-8-4-9-15-21)27-26(23)22-16-10-5-11-17-22/h3-17,23-24,26-27H,2,18-19H2,1H3/b28-25+
InChIKeyPEHHQTTXODTRTC-AZPGRJICSA-N
MW384.52 g/mol
LogP6.06
Rot. Bonds6

About (E)-3-ethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine

(E)-3-ethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine (PubChem CID 45272106) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is (E)-3-ethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine.

Molecular Properties

Compound Name(E)-3-ethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine
PubChem CID45272106
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name(E)-3-ethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine
SMILESCCC1/C(=N/OCc2ccccc2)CC(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C26H28N2O/c1-2-23-25(28-29-19-20-12-6-3-7-13-20)18-24(21-14-8-4-9-15-21)27-26(23)22-16-10-5-11-17-22/h3-17,23-24,26-27H,2,18-19H2,1H3/b28-25+
InChIKeyPEHHQTTXODTRTC-AZPGRJICSA-N
XLogP6.06
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 (E)-3-ethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine?
The IUPAC name of (E)-3-ethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine (CID 45272106) is (E)-3-ethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine.
What is the SMILES notation for (E)-3-ethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine?
The canonical SMILES for (E)-3-ethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine is CCC1/C(=N/OCc2ccccc2)CC(c2ccccc2)NC1c1ccccc1.
What is the InChIKey of (E)-3-ethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine?
The InChIKey is PEHHQTTXODTRTC-AZPGRJICSA-N. The full InChI is InChI=1S/C26H28N2O/c1-2-23-25(28-29-19-20-12-6-3-7-13-20)18-24(21-14-8-4-9-15-21)27-26(23)22-16-10-5-11-17-22/h3-17,23-24,26-27H,2,18-19H2,1H3/b28-25+.
What are the key properties of (E)-3-ethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine?
(E)-3-ethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine has a molecular weight of 384.52 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine is sourced from PubChem (CID 45272106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).