1-[2,4-bis(difluoromethoxy)phenyl]-N-(2,6-dimethylpiperidin-1-yl)methanimine

C16H20F4N2O2 — CID 4829833

IUPAC1-[2,4-bis(difluoromethoxy)phenyl]-N-(2,6-dimethylpiperidin-1-yl)methanimine
SMILESCC1CCCC(C)N1N=Cc1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C16H20F4N2O2/c1-10-4-3-5-11(2)22(10)21-9-12-6-7-13(23-15(17)18)8-14(12)24-16(19)20/h6-11,15-16H,3-5H2,1-2H3
InChIKeyBNPCNCCHLHRSHX-UHFFFAOYSA-N
MW348.34 g/mol
LogP4.49
Rot. Bonds6

About 1-[2,4-bis(difluoromethoxy)phenyl]-N-(2,6-dimethylpiperidin-1-yl)methanimine

1-[2,4-bis(difluoromethoxy)phenyl]-N-(2,6-dimethylpiperidin-1-yl)methanimine (PubChem CID 4829833) has the molecular formula C16H20F4N2O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is 1-[2,4-bis(difluoromethoxy)phenyl]-N-(2,6-dimethylpiperidin-1-yl)methanimine.

Molecular Properties

Compound Name1-[2,4-bis(difluoromethoxy)phenyl]-N-(2,6-dimethylpiperidin-1-yl)methanimine
PubChem CID4829833
Molecular FormulaC16H20F4N2O2
Molecular Weight348.34 g/mol
Exact Mass348.15
IUPAC Name1-[2,4-bis(difluoromethoxy)phenyl]-N-(2,6-dimethylpiperidin-1-yl)methanimine
SMILESCC1CCCC(C)N1N=Cc1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C16H20F4N2O2/c1-10-4-3-5-11(2)22(10)21-9-12-6-7-13(23-15(17)18)8-14(12)24-16(19)20/h6-11,15-16H,3-5H2,1-2H3
InChIKeyBNPCNCCHLHRSHX-UHFFFAOYSA-N
XLogP4.49
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(difluoromethoxy)phenyl]-N-(2,6-dimethylpiperidin-1-yl)methanimine?
The IUPAC name of 1-[2,4-bis(difluoromethoxy)phenyl]-N-(2,6-dimethylpiperidin-1-yl)methanimine (CID 4829833) is 1-[2,4-bis(difluoromethoxy)phenyl]-N-(2,6-dimethylpiperidin-1-yl)methanimine.
What is the SMILES notation for 1-[2,4-bis(difluoromethoxy)phenyl]-N-(2,6-dimethylpiperidin-1-yl)methanimine?
The canonical SMILES for 1-[2,4-bis(difluoromethoxy)phenyl]-N-(2,6-dimethylpiperidin-1-yl)methanimine is CC1CCCC(C)N1N=Cc1ccc(OC(F)F)cc1OC(F)F.
What is the InChIKey of 1-[2,4-bis(difluoromethoxy)phenyl]-N-(2,6-dimethylpiperidin-1-yl)methanimine?
The InChIKey is BNPCNCCHLHRSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F4N2O2/c1-10-4-3-5-11(2)22(10)21-9-12-6-7-13(23-15(17)18)8-14(12)24-16(19)20/h6-11,15-16H,3-5H2,1-2H3.
What are the key properties of 1-[2,4-bis(difluoromethoxy)phenyl]-N-(2,6-dimethylpiperidin-1-yl)methanimine?
1-[2,4-bis(difluoromethoxy)phenyl]-N-(2,6-dimethylpiperidin-1-yl)methanimine has a molecular weight of 348.34 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(difluoromethoxy)phenyl]-N-(2,6-dimethylpiperidin-1-yl)methanimine is sourced from PubChem (CID 4829833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).