2,6-dimethyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine

C19H27F3N2O — CID 2911574

IUPAC2,6-dimethyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine
SMILESCC1CN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC(C)O1
InChIInChI=1S/C19H27F3N2O/c1-14-11-24(12-15(2)25-14)17-7-9-23(10-8-17)13-16-5-3-4-6-18(16)19(20,21)22/h3-6,14-15,17H,7-13H2,1-2H3
InChIKeyAOUKAAGBQSJMAJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.78
Rot. Bonds3

About 2,6-dimethyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine

2,6-dimethyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine (PubChem CID 2911574) has the molecular formula C19H27F3N2O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2,6-dimethyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine
PubChem CID2911574
Molecular FormulaC19H27F3N2O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC Name2,6-dimethyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine
SMILESCC1CN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC(C)O1
InChIInChI=1S/C19H27F3N2O/c1-14-11-24(12-15(2)25-14)17-7-9-23(10-8-17)13-16-5-3-4-6-18(16)19(20,21)22/h3-6,14-15,17H,7-13H2,1-2H3
InChIKeyAOUKAAGBQSJMAJ-UHFFFAOYSA-N
XLogP3.78
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine (CID 2911574) is 2,6-dimethyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine is CC1CN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine?
The InChIKey is AOUKAAGBQSJMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O/c1-14-11-24(12-15(2)25-14)17-7-9-23(10-8-17)13-16-5-3-4-6-18(16)19(20,21)22/h3-6,14-15,17H,7-13H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine?
2,6-dimethyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine has a molecular weight of 356.43 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine is sourced from PubChem (CID 2911574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).