2-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]pyridine

C18H19F3N2O — CID 56886415

IUPAC2-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]pyridine
SMILESFC(F)(F)c1cccc(OC2CCN(Cc3ccccn3)CC2)c1
InChIInChI=1S/C18H19F3N2O/c19-18(20,21)14-4-3-6-17(12-14)24-16-7-10-23(11-8-16)13-15-5-1-2-9-22-15/h1-6,9,12,16H,7-8,10-11,13H2
InChIKeyRSFMJQAOUXCDTP-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.14
Rot. Bonds4

About 2-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]pyridine

2-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]pyridine (PubChem CID 56886415) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]pyridine
PubChem CID56886415
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name2-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]pyridine
SMILESFC(F)(F)c1cccc(OC2CCN(Cc3ccccn3)CC2)c1
InChIInChI=1S/C18H19F3N2O/c19-18(20,21)14-4-3-6-17(12-14)24-16-7-10-23(11-8-16)13-15-5-1-2-9-22-15/h1-6,9,12,16H,7-8,10-11,13H2
InChIKeyRSFMJQAOUXCDTP-UHFFFAOYSA-N
XLogP4.14
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride
CID 117068516
2-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyridine
CID 172893124
1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexan-1-amine
CID 68903645
2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 131703770
2-[[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine
CID 95558447
2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548
4-[3-(trifluoromethyl)phenoxy]oxane
CID 53217062
5-cyclopropyl-2-fluoro-N-oxo-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide
CID 144850879
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide
CID 67169798
2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 70736464

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 2-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]pyridine (CID 56886415) is 2-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]pyridine is FC(F)(F)c1cccc(OC2CCN(Cc3ccccn3)CC2)c1.
What is the InChIKey of 2-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]pyridine?
The InChIKey is RSFMJQAOUXCDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c19-18(20,21)14-4-3-6-17(12-14)24-16-7-10-23(11-8-16)13-15-5-1-2-9-22-15/h1-6,9,12,16H,7-8,10-11,13H2.
What are the key properties of 2-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]pyridine?
2-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]pyridine has a molecular weight of 336.36 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 56886415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).