(E,2R,3S,6S)-3-ethyl-N-methoxy-1-methyl-2,6-diphenylpiperidin-4-imine

C21H26N2O — CID 57399807

IUPAC(E,2R,3S,6S)-3-ethyl-N-methoxy-1-methyl-2,6-diphenylpiperidin-4-imine
SMILESCC[C@@H]1/C(=N/OC)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1
InChIInChI=1S/C21H26N2O/c1-4-18-19(22-24-3)15-20(16-11-7-5-8-12-16)23(2)21(18)17-13-9-6-10-14-17/h5-14,18,20-21H,4,15H2,1-3H3/b22-19+/t18-,20+,21+/m1/s1
InChIKeyBEAUKYYFWRNDKJ-CDGAWMLISA-N
MW322.45 g/mol
LogP4.83
Rot. Bonds4

About (E,2R,3S,6S)-3-ethyl-N-methoxy-1-methyl-2,6-diphenylpiperidin-4-imine

(E,2R,3S,6S)-3-ethyl-N-methoxy-1-methyl-2,6-diphenylpiperidin-4-imine (PubChem CID 57399807) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (E,2R,3S,6S)-3-ethyl-N-methoxy-1-methyl-2,6-diphenylpiperidin-4-imine.

Molecular Properties

Compound Name(E,2R,3S,6S)-3-ethyl-N-methoxy-1-methyl-2,6-diphenylpiperidin-4-imine
PubChem CID57399807
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(E,2R,3S,6S)-3-ethyl-N-methoxy-1-methyl-2,6-diphenylpiperidin-4-imine
SMILESCC[C@@H]1/C(=N/OC)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1
InChIInChI=1S/C21H26N2O/c1-4-18-19(22-24-3)15-20(16-11-7-5-8-12-16)23(2)21(18)17-13-9-6-10-14-17/h5-14,18,20-21H,4,15H2,1-3H3/b22-19+/t18-,20+,21+/m1/s1
InChIKeyBEAUKYYFWRNDKJ-CDGAWMLISA-N
XLogP4.83
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.83
H-Bond Donors ≤ 50
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,2R,3S,6S)-3-ethyl-N-methoxy-1-methyl-2,6-diphenylpiperidin-4-imine?
The IUPAC name of (E,2R,3S,6S)-3-ethyl-N-methoxy-1-methyl-2,6-diphenylpiperidin-4-imine (CID 57399807) is (E,2R,3S,6S)-3-ethyl-N-methoxy-1-methyl-2,6-diphenylpiperidin-4-imine.
What is the SMILES notation for (E,2R,3S,6S)-3-ethyl-N-methoxy-1-methyl-2,6-diphenylpiperidin-4-imine?
The canonical SMILES for (E,2R,3S,6S)-3-ethyl-N-methoxy-1-methyl-2,6-diphenylpiperidin-4-imine is CC[C@@H]1/C(=N/OC)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1.
What is the InChIKey of (E,2R,3S,6S)-3-ethyl-N-methoxy-1-methyl-2,6-diphenylpiperidin-4-imine?
The InChIKey is BEAUKYYFWRNDKJ-CDGAWMLISA-N. The full InChI is InChI=1S/C21H26N2O/c1-4-18-19(22-24-3)15-20(16-11-7-5-8-12-16)23(2)21(18)17-13-9-6-10-14-17/h5-14,18,20-21H,4,15H2,1-3H3/b22-19+/t18-,20+,21+/m1/s1.
What are the key properties of (E,2R,3S,6S)-3-ethyl-N-methoxy-1-methyl-2,6-diphenylpiperidin-4-imine?
(E,2R,3S,6S)-3-ethyl-N-methoxy-1-methyl-2,6-diphenylpiperidin-4-imine has a molecular weight of 322.45 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3S,6S)-3-ethyl-N-methoxy-1-methyl-2,6-diphenylpiperidin-4-imine is sourced from PubChem (CID 57399807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).