(2R,3S,5R,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3,5-dimethylpiperidin-4-imine

C20H22F2N2O — CID 57396354

IUPAC(2R,3S,5R,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3,5-dimethylpiperidin-4-imine
SMILESCO/N=C1/[C@@H](C)[C@H](c2cccc(F)c2)N[C@H](c2cccc(F)c2)[C@H]1C
InChIInChI=1S/C20H22F2N2O/c1-12-18(24-25-3)13(2)20(15-7-5-9-17(22)11-15)23-19(12)14-6-4-8-16(21)10-14/h4-13,19-20,23H,1-3H3/b24-18-/t12-,13+,19-,20+/m1/s1
InChIKeySRTYIJAODZICQH-NTCPBZNLSA-N
MW344.41 g/mol
LogP4.62
Rot. Bonds3

About (2R,3S,5R,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3,5-dimethylpiperidin-4-imine

(2R,3S,5R,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3,5-dimethylpiperidin-4-imine (PubChem CID 57396354) has the molecular formula C20H22F2N2O and a molecular weight of 344.41 g/mol. Its IUPAC name is (2R,3S,5R,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3,5-dimethylpiperidin-4-imine.

Molecular Properties

Compound Name(2R,3S,5R,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3,5-dimethylpiperidin-4-imine
PubChem CID57396354
Molecular FormulaC20H22F2N2O
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(2R,3S,5R,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3,5-dimethylpiperidin-4-imine
SMILESCO/N=C1/[C@@H](C)[C@H](c2cccc(F)c2)N[C@H](c2cccc(F)c2)[C@H]1C
InChIInChI=1S/C20H22F2N2O/c1-12-18(24-25-3)13(2)20(15-7-5-9-17(22)11-15)23-19(12)14-6-4-8-16(21)10-14/h4-13,19-20,23H,1-3H3/b24-18-/t12-,13+,19-,20+/m1/s1
InChIKeySRTYIJAODZICQH-NTCPBZNLSA-N
XLogP4.62
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.62
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 (2R,3S,5R,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3,5-dimethylpiperidin-4-imine?
The IUPAC name of (2R,3S,5R,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3,5-dimethylpiperidin-4-imine (CID 57396354) is (2R,3S,5R,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3,5-dimethylpiperidin-4-imine.
What is the SMILES notation for (2R,3S,5R,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3,5-dimethylpiperidin-4-imine?
The canonical SMILES for (2R,3S,5R,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3,5-dimethylpiperidin-4-imine is CO/N=C1/[C@@H](C)[C@H](c2cccc(F)c2)N[C@H](c2cccc(F)c2)[C@H]1C.
What is the InChIKey of (2R,3S,5R,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3,5-dimethylpiperidin-4-imine?
The InChIKey is SRTYIJAODZICQH-NTCPBZNLSA-N. The full InChI is InChI=1S/C20H22F2N2O/c1-12-18(24-25-3)13(2)20(15-7-5-9-17(22)11-15)23-19(12)14-6-4-8-16(21)10-14/h4-13,19-20,23H,1-3H3/b24-18-/t12-,13+,19-,20+/m1/s1.
What are the key properties of (2R,3S,5R,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3,5-dimethylpiperidin-4-imine?
(2R,3S,5R,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3,5-dimethylpiperidin-4-imine has a molecular weight of 344.41 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3,5-dimethylpiperidin-4-imine is sourced from PubChem (CID 57396354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).