(Z)-1-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine

C17H24F2N2O3 — CID 9012581

IUPAC(Z)-1-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine
SMILESCOc1cc(/C=N\N2[C@H](C)CCC[C@@H]2C)cc(OC)c1OC(F)F
InChIInChI=1S/C17H24F2N2O3/c1-11-6-5-7-12(2)21(11)20-10-13-8-14(22-3)16(24-17(18)19)15(9-13)23-4/h8-12,17H,5-7H2,1-4H3/b20-10-/t11-,12+
InChIKeyLWGFNTZMMAKWJK-AIJHCIHSSA-N
MW342.39 g/mol
LogP3.90
Rot. Bonds6

About (Z)-1-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine

(Z)-1-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine (PubChem CID 9012581) has the molecular formula C17H24F2N2O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is (Z)-1-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine.

Molecular Properties

Compound Name(Z)-1-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine
PubChem CID9012581
Molecular FormulaC17H24F2N2O3
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Name(Z)-1-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine
SMILESCOc1cc(/C=N\N2[C@H](C)CCC[C@@H]2C)cc(OC)c1OC(F)F
InChIInChI=1S/C17H24F2N2O3/c1-11-6-5-7-12(2)21(11)20-10-13-8-14(22-3)16(24-17(18)19)15(9-13)23-4/h8-12,17H,5-7H2,1-4H3/b20-10-/t11-,12+
InChIKeyLWGFNTZMMAKWJK-AIJHCIHSSA-N
XLogP3.90
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-1-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine?
The IUPAC name of (Z)-1-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine (CID 9012581) is (Z)-1-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine.
What is the SMILES notation for (Z)-1-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine?
The canonical SMILES for (Z)-1-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine is COc1cc(/C=N\N2[C@H](C)CCC[C@@H]2C)cc(OC)c1OC(F)F.
What is the InChIKey of (Z)-1-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine?
The InChIKey is LWGFNTZMMAKWJK-AIJHCIHSSA-N. The full InChI is InChI=1S/C17H24F2N2O3/c1-11-6-5-7-12(2)21(11)20-10-13-8-14(22-3)16(24-17(18)19)15(9-13)23-4/h8-12,17H,5-7H2,1-4H3/b20-10-/t11-,12+.
What are the key properties of (Z)-1-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine?
(Z)-1-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine has a molecular weight of 342.39 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine is sourced from PubChem (CID 9012581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).