3-[[3-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine

C19H21F3N2O — CID 155521574

IUPAC3-[[3-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine
SMILESFC(F)(F)c1ccccc1CC1(COc2cccnc2)CCCNC1
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)17-7-2-1-5-15(17)11-18(8-4-10-24-13-18)14-25-16-6-3-9-23-12-16/h1-3,5-7,9,12,24H,4,8,10-11,13-14H2
InChIKeyGNMADJPFYRDSMM-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.09
Rot. Bonds5

About 3-[[3-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine

3-[[3-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine (PubChem CID 155521574) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-[[3-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[[3-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine
PubChem CID155521574
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name3-[[3-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine
SMILESFC(F)(F)c1ccccc1CC1(COc2cccnc2)CCCNC1
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)17-7-2-1-5-15(17)11-18(8-4-10-24-13-18)14-25-16-6-3-9-23-12-16/h1-3,5-7,9,12,24H,4,8,10-11,13-14H2
InChIKeyGNMADJPFYRDSMM-UHFFFAOYSA-N
XLogP4.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine?
The IUPAC name of 3-[[3-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine (CID 155521574) is 3-[[3-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 3-[[3-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine?
The canonical SMILES for 3-[[3-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine is FC(F)(F)c1ccccc1CC1(COc2cccnc2)CCCNC1.
What is the InChIKey of 3-[[3-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine?
The InChIKey is GNMADJPFYRDSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c20-19(21,22)17-7-2-1-5-15(17)11-18(8-4-10-24-13-18)14-25-16-6-3-9-23-12-16/h1-3,5-7,9,12,24H,4,8,10-11,13-14H2.
What are the key properties of 3-[[3-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine?
3-[[3-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine has a molecular weight of 350.38 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 155521574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).