(Z)-1-[2-(difluoromethoxy)phenyl]-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine

C15H20F2N2O — CID 6598140

IUPAC(Z)-1-[2-(difluoromethoxy)phenyl]-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine
SMILESC[C@H]1CCC[C@H](C)N1/N=C\c1ccccc1OC(F)F
InChIInChI=1S/C15H20F2N2O/c1-11-6-5-7-12(2)19(11)18-10-13-8-3-4-9-14(13)20-15(16)17/h3-4,8-12,15H,5-7H2,1-2H3/b18-10-/t11-,12-/m0/s1
InChIKeySLCKKVHNXCAZQY-PUEUJWCZSA-N
MW282.33 g/mol
LogP3.88
Rot. Bonds4

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

(Z)-1-[2-(difluoromethoxy)phenyl]-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine (PubChem CID 6598140) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is (Z)-1-[2-(difluoromethoxy)phenyl]-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine.

Molecular Properties

Compound Name(Z)-1-[2-(difluoromethoxy)phenyl]-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine
PubChem CID6598140
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name(Z)-1-[2-(difluoromethoxy)phenyl]-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine
SMILESC[C@H]1CCC[C@H](C)N1/N=C\c1ccccc1OC(F)F
InChIInChI=1S/C15H20F2N2O/c1-11-6-5-7-12(2)19(11)18-10-13-8-3-4-9-14(13)20-15(16)17/h3-4,8-12,15H,5-7H2,1-2H3/b18-10-/t11-,12-/m0/s1
InChIKeySLCKKVHNXCAZQY-PUEUJWCZSA-N
XLogP3.88
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (Z)-1-[2-(difluoromethoxy)phenyl]-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine?
The IUPAC name of (Z)-1-[2-(difluoromethoxy)phenyl]-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine (CID 6598140) is (Z)-1-[2-(difluoromethoxy)phenyl]-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine.
What is the SMILES notation for (Z)-1-[2-(difluoromethoxy)phenyl]-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine?
The canonical SMILES for (Z)-1-[2-(difluoromethoxy)phenyl]-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine is C[C@H]1CCC[C@H](C)N1/N=C\c1ccccc1OC(F)F.
What is the InChIKey of (Z)-1-[2-(difluoromethoxy)phenyl]-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine?
The InChIKey is SLCKKVHNXCAZQY-PUEUJWCZSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-11-6-5-7-12(2)19(11)18-10-13-8-3-4-9-14(13)20-15(16)17/h3-4,8-12,15H,5-7H2,1-2H3/b18-10-/t11-,12-/m0/s1.
What are the key properties of (Z)-1-[2-(difluoromethoxy)phenyl]-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine?
(Z)-1-[2-(difluoromethoxy)phenyl]-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine has a molecular weight of 282.33 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-(difluoromethoxy)phenyl]-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine is sourced from PubChem (CID 6598140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).