3-[piperidin-4-yl-[2-(trifluoromethyl)phenoxy]methyl]pyridine

C18H19F3N2O — CID 45272270

IUPAC3-[piperidin-4-yl-[2-(trifluoromethyl)phenoxy]methyl]pyridine
SMILESFC(F)(F)c1ccccc1OC(c1cccnc1)C1CCNCC1
InChIInChI=1S/C18H19F3N2O/c19-18(20,21)15-5-1-2-6-16(15)24-17(13-7-10-22-11-8-13)14-4-3-9-23-12-14/h1-6,9,12-13,17,22H,7-8,10-11H2
InChIKeyABLMTRUAAOJKSC-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.22
Rot. Bonds4

About 3-[piperidin-4-yl-[2-(trifluoromethyl)phenoxy]methyl]pyridine

3-[piperidin-4-yl-[2-(trifluoromethyl)phenoxy]methyl]pyridine (PubChem CID 45272270) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 3-[piperidin-4-yl-[2-(trifluoromethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name3-[piperidin-4-yl-[2-(trifluoromethyl)phenoxy]methyl]pyridine
PubChem CID45272270
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name3-[piperidin-4-yl-[2-(trifluoromethyl)phenoxy]methyl]pyridine
SMILESFC(F)(F)c1ccccc1OC(c1cccnc1)C1CCNCC1
InChIInChI=1S/C18H19F3N2O/c19-18(20,21)15-5-1-2-6-16(15)24-17(13-7-10-22-11-8-13)14-4-3-9-23-12-14/h1-6,9,12-13,17,22H,7-8,10-11H2
InChIKeyABLMTRUAAOJKSC-UHFFFAOYSA-N
XLogP4.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[piperidin-4-yl-[2-(trifluoromethyl)phenoxy]methyl]pyridine?
The IUPAC name of 3-[piperidin-4-yl-[2-(trifluoromethyl)phenoxy]methyl]pyridine (CID 45272270) is 3-[piperidin-4-yl-[2-(trifluoromethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 3-[piperidin-4-yl-[2-(trifluoromethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 3-[piperidin-4-yl-[2-(trifluoromethyl)phenoxy]methyl]pyridine is FC(F)(F)c1ccccc1OC(c1cccnc1)C1CCNCC1.
What is the InChIKey of 3-[piperidin-4-yl-[2-(trifluoromethyl)phenoxy]methyl]pyridine?
The InChIKey is ABLMTRUAAOJKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c19-18(20,21)15-5-1-2-6-16(15)24-17(13-7-10-22-11-8-13)14-4-3-9-23-12-14/h1-6,9,12-13,17,22H,7-8,10-11H2.
What are the key properties of 3-[piperidin-4-yl-[2-(trifluoromethyl)phenoxy]methyl]pyridine?
3-[piperidin-4-yl-[2-(trifluoromethyl)phenoxy]methyl]pyridine has a molecular weight of 336.36 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[piperidin-4-yl-[2-(trifluoromethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 45272270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).