(E,2R,3S,6S)-2,6-bis(4-fluorophenyl)-N-methoxy-1,3-dimethylpiperidin-4-imine

C20H22F2N2O — CID 57398155

IUPAC(E,2R,3S,6S)-2,6-bis(4-fluorophenyl)-N-methoxy-1,3-dimethylpiperidin-4-imine
SMILESCO/N=C1\C[C@@H](c2ccc(F)cc2)N(C)[C@@H](c2ccc(F)cc2)[C@@H]1C
InChIInChI=1S/C20H22F2N2O/c1-13-18(23-25-3)12-19(14-4-8-16(21)9-5-14)24(2)20(13)15-6-10-17(22)11-7-15/h4-11,13,19-20H,12H2,1-3H3/b23-18+/t13-,19+,20-/m1/s1
InChIKeyIZESEOWBWXQCNB-LBYCEHKMSA-N
MW344.41 g/mol
LogP4.72
Rot. Bonds3

About (E,2R,3S,6S)-2,6-bis(4-fluorophenyl)-N-methoxy-1,3-dimethylpiperidin-4-imine

(E,2R,3S,6S)-2,6-bis(4-fluorophenyl)-N-methoxy-1,3-dimethylpiperidin-4-imine (PubChem CID 57398155) has the molecular formula C20H22F2N2O and a molecular weight of 344.41 g/mol. Its IUPAC name is (E,2R,3S,6S)-2,6-bis(4-fluorophenyl)-N-methoxy-1,3-dimethylpiperidin-4-imine.

Molecular Properties

Compound Name(E,2R,3S,6S)-2,6-bis(4-fluorophenyl)-N-methoxy-1,3-dimethylpiperidin-4-imine
PubChem CID57398155
Molecular FormulaC20H22F2N2O
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(E,2R,3S,6S)-2,6-bis(4-fluorophenyl)-N-methoxy-1,3-dimethylpiperidin-4-imine
SMILESCO/N=C1\C[C@@H](c2ccc(F)cc2)N(C)[C@@H](c2ccc(F)cc2)[C@@H]1C
InChIInChI=1S/C20H22F2N2O/c1-13-18(23-25-3)12-19(14-4-8-16(21)9-5-14)24(2)20(13)15-6-10-17(22)11-7-15/h4-11,13,19-20H,12H2,1-3H3/b23-18+/t13-,19+,20-/m1/s1
InChIKeyIZESEOWBWXQCNB-LBYCEHKMSA-N
XLogP4.72
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.72
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)-2,6-bis(4-fluorophenyl)-N-methoxy-1,3-dimethylpiperidin-4-imine?
The IUPAC name of (E,2R,3S,6S)-2,6-bis(4-fluorophenyl)-N-methoxy-1,3-dimethylpiperidin-4-imine (CID 57398155) is (E,2R,3S,6S)-2,6-bis(4-fluorophenyl)-N-methoxy-1,3-dimethylpiperidin-4-imine.
What is the SMILES notation for (E,2R,3S,6S)-2,6-bis(4-fluorophenyl)-N-methoxy-1,3-dimethylpiperidin-4-imine?
The canonical SMILES for (E,2R,3S,6S)-2,6-bis(4-fluorophenyl)-N-methoxy-1,3-dimethylpiperidin-4-imine is CO/N=C1\C[C@@H](c2ccc(F)cc2)N(C)[C@@H](c2ccc(F)cc2)[C@@H]1C.
What is the InChIKey of (E,2R,3S,6S)-2,6-bis(4-fluorophenyl)-N-methoxy-1,3-dimethylpiperidin-4-imine?
The InChIKey is IZESEOWBWXQCNB-LBYCEHKMSA-N. The full InChI is InChI=1S/C20H22F2N2O/c1-13-18(23-25-3)12-19(14-4-8-16(21)9-5-14)24(2)20(13)15-6-10-17(22)11-7-15/h4-11,13,19-20H,12H2,1-3H3/b23-18+/t13-,19+,20-/m1/s1.
What are the key properties of (E,2R,3S,6S)-2,6-bis(4-fluorophenyl)-N-methoxy-1,3-dimethylpiperidin-4-imine?
(E,2R,3S,6S)-2,6-bis(4-fluorophenyl)-N-methoxy-1,3-dimethylpiperidin-4-imine has a molecular weight of 344.41 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3S,6S)-2,6-bis(4-fluorophenyl)-N-methoxy-1,3-dimethylpiperidin-4-imine is sourced from PubChem (CID 57398155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).