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

C19H21F3N2O — CID 155516990

IUPAC3-[[3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine
SMILESFC(F)(F)c1cccc(CC2(COc3cccnc3)CCCNC2)c1
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)16-5-1-4-15(10-16)11-18(7-3-9-24-13-18)14-25-17-6-2-8-23-12-17/h1-2,4-6,8,10,12,24H,3,7,9,11,13-14H2
InChIKeyXCLPQCOSKYRJOS-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.09
Rot. Bonds5

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

3-[[3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine (PubChem CID 155516990) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-[[3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[[3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine
PubChem CID155516990
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name3-[[3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine
SMILESFC(F)(F)c1cccc(CC2(COc3cccnc3)CCCNC2)c1
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)16-5-1-4-15(10-16)11-18(7-3-9-24-13-18)14-25-17-6-2-8-23-12-17/h1-2,4-6,8,10,12,24H,3,7,9,11,13-14H2
InChIKeyXCLPQCOSKYRJOS-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-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine?
The IUPAC name of 3-[[3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine (CID 155516990) is 3-[[3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 3-[[3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine?
The canonical SMILES for 3-[[3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine is FC(F)(F)c1cccc(CC2(COc3cccnc3)CCCNC2)c1.
What is the InChIKey of 3-[[3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine?
The InChIKey is XCLPQCOSKYRJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c20-19(21,22)16-5-1-4-15(10-16)11-18(7-3-9-24-13-18)14-25-17-6-2-8-23-12-17/h1-2,4-6,8,10,12,24H,3,7,9,11,13-14H2.
What are the key properties of 3-[[3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine?
3-[[3-[[3-(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-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 155516990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).