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

C19H20F2N2O — CID 57398063

IUPAC(E,2R,3S,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3-methylpiperidin-4-imine
SMILESCO/N=C1\C[C@@H](c2cccc(F)c2)N[C@@H](c2cccc(F)c2)[C@@H]1C
InChIInChI=1S/C19H20F2N2O/c1-12-17(23-24-2)11-18(13-5-3-7-15(20)9-13)22-19(12)14-6-4-8-16(21)10-14/h3-10,12,18-19,22H,11H2,1-2H3/b23-17+/t12-,18+,19-/m1/s1
InChIKeyGMVCOPOVRHWYFE-NZIXVOHUSA-N
MW330.38 g/mol
LogP4.38
Rot. Bonds3

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

(E,2R,3S,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3-methylpiperidin-4-imine (PubChem CID 57398063) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is (E,2R,3S,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3-methylpiperidin-4-imine.

Molecular Properties

Compound Name(E,2R,3S,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3-methylpiperidin-4-imine
PubChem CID57398063
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name(E,2R,3S,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3-methylpiperidin-4-imine
SMILESCO/N=C1\C[C@@H](c2cccc(F)c2)N[C@@H](c2cccc(F)c2)[C@@H]1C
InChIInChI=1S/C19H20F2N2O/c1-12-17(23-24-2)11-18(13-5-3-7-15(20)9-13)22-19(12)14-6-4-8-16(21)10-14/h3-10,12,18-19,22H,11H2,1-2H3/b23-17+/t12-,18+,19-/m1/s1
InChIKeyGMVCOPOVRHWYFE-NZIXVOHUSA-N
XLogP4.38
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.38
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)-2,6-bis(3-fluorophenyl)-N-methoxy-3-methylpiperidin-4-imine?
The IUPAC name of (E,2R,3S,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3-methylpiperidin-4-imine (CID 57398063) is (E,2R,3S,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3-methylpiperidin-4-imine.
What is the SMILES notation for (E,2R,3S,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3-methylpiperidin-4-imine?
The canonical SMILES for (E,2R,3S,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3-methylpiperidin-4-imine is CO/N=C1\C[C@@H](c2cccc(F)c2)N[C@@H](c2cccc(F)c2)[C@@H]1C.
What is the InChIKey of (E,2R,3S,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3-methylpiperidin-4-imine?
The InChIKey is GMVCOPOVRHWYFE-NZIXVOHUSA-N. The full InChI is InChI=1S/C19H20F2N2O/c1-12-17(23-24-2)11-18(13-5-3-7-15(20)9-13)22-19(12)14-6-4-8-16(21)10-14/h3-10,12,18-19,22H,11H2,1-2H3/b23-17+/t12-,18+,19-/m1/s1.
What are the key properties of (E,2R,3S,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3-methylpiperidin-4-imine?
(E,2R,3S,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3-methylpiperidin-4-imine has a molecular weight of 330.38 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3S,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3-methylpiperidin-4-imine is sourced from PubChem (CID 57398063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).