(E,2R,3S,6S)-N-methoxy-2,6-diphenyl-3-propan-2-ylpiperidin-4-imine

C21H26N2O — CID 57399720

IUPAC(E,2R,3S,6S)-N-methoxy-2,6-diphenyl-3-propan-2-ylpiperidin-4-imine
SMILESCO/N=C1\C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1C(C)C
InChIInChI=1S/C21H26N2O/c1-15(2)20-19(23-24-3)14-18(16-10-6-4-7-11-16)22-21(20)17-12-8-5-9-13-17/h4-13,15,18,20-22H,14H2,1-3H3/b23-19+/t18-,20+,21-/m0/s1
InChIKeyQWJSRVBYSZACLP-FOTHQTNTSA-N
MW322.45 g/mol
LogP4.74
Rot. Bonds4

About (E,2R,3S,6S)-N-methoxy-2,6-diphenyl-3-propan-2-ylpiperidin-4-imine

(E,2R,3S,6S)-N-methoxy-2,6-diphenyl-3-propan-2-ylpiperidin-4-imine (PubChem CID 57399720) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (E,2R,3S,6S)-N-methoxy-2,6-diphenyl-3-propan-2-ylpiperidin-4-imine.

Molecular Properties

Compound Name(E,2R,3S,6S)-N-methoxy-2,6-diphenyl-3-propan-2-ylpiperidin-4-imine
PubChem CID57399720
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(E,2R,3S,6S)-N-methoxy-2,6-diphenyl-3-propan-2-ylpiperidin-4-imine
SMILESCO/N=C1\C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1C(C)C
InChIInChI=1S/C21H26N2O/c1-15(2)20-19(23-24-3)14-18(16-10-6-4-7-11-16)22-21(20)17-12-8-5-9-13-17/h4-13,15,18,20-22H,14H2,1-3H3/b23-19+/t18-,20+,21-/m0/s1
InChIKeyQWJSRVBYSZACLP-FOTHQTNTSA-N
XLogP4.74
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.74
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,2R,3S,6S)-N-methoxy-2,6-diphenyl-3-propan-2-ylpiperidin-4-imine?
The IUPAC name of (E,2R,3S,6S)-N-methoxy-2,6-diphenyl-3-propan-2-ylpiperidin-4-imine (CID 57399720) is (E,2R,3S,6S)-N-methoxy-2,6-diphenyl-3-propan-2-ylpiperidin-4-imine.
What is the SMILES notation for (E,2R,3S,6S)-N-methoxy-2,6-diphenyl-3-propan-2-ylpiperidin-4-imine?
The canonical SMILES for (E,2R,3S,6S)-N-methoxy-2,6-diphenyl-3-propan-2-ylpiperidin-4-imine is CO/N=C1\C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1C(C)C.
What is the InChIKey of (E,2R,3S,6S)-N-methoxy-2,6-diphenyl-3-propan-2-ylpiperidin-4-imine?
The InChIKey is QWJSRVBYSZACLP-FOTHQTNTSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15(2)20-19(23-24-3)14-18(16-10-6-4-7-11-16)22-21(20)17-12-8-5-9-13-17/h4-13,15,18,20-22H,14H2,1-3H3/b23-19+/t18-,20+,21-/m0/s1.
What are the key properties of (E,2R,3S,6S)-N-methoxy-2,6-diphenyl-3-propan-2-ylpiperidin-4-imine?
(E,2R,3S,6S)-N-methoxy-2,6-diphenyl-3-propan-2-ylpiperidin-4-imine has a molecular weight of 322.45 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3S,6S)-N-methoxy-2,6-diphenyl-3-propan-2-ylpiperidin-4-imine is sourced from PubChem (CID 57399720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).