4-(piperidin-4-ylmethoxy)-3-(trifluoromethyl)pyridine

C12H15F3N2O — CID 166105232

IUPAC4-(piperidin-4-ylmethoxy)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnccc1OCC1CCNCC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10-7-17-6-3-11(10)18-8-9-1-4-16-5-2-9/h3,6-7,9,16H,1-2,4-5,8H2
InChIKeyZBZSBMPRRKPKKD-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.48
Rot. Bonds3

About 4-(piperidin-4-ylmethoxy)-3-(trifluoromethyl)pyridine

4-(piperidin-4-ylmethoxy)-3-(trifluoromethyl)pyridine (PubChem CID 166105232) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-(piperidin-4-ylmethoxy)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(piperidin-4-ylmethoxy)-3-(trifluoromethyl)pyridine
PubChem CID166105232
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name4-(piperidin-4-ylmethoxy)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnccc1OCC1CCNCC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10-7-17-6-3-11(10)18-8-9-1-4-16-5-2-9/h3,6-7,9,16H,1-2,4-5,8H2
InChIKeyZBZSBMPRRKPKKD-UHFFFAOYSA-N
XLogP2.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-(piperidin-4-ylmethoxy)pyridine
CID 142361424
3-bromo-4-(piperidin-4-ylmethoxy)pyridine
CID 104779217
3-methyl-4-(piperidin-4-ylmethoxy)pyridine;dihydrochloride
CID 154582386
4-piperidin-4-yloxy-3-(trifluoromethyl)pyridine;hydrochloride
CID 166104292
4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine
CID 115047555
(3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 86321036
tert-butyl formate;3-nitro-4-(piperidin-4-ylmethoxy)pyridine
CID 175294004
4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine
CID 68829498
2-(piperidin-4-ylmethoxy)pyrazine;hydrochloride
CID 71636924
4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine
CID 158221465
4-bromo-3-(cyclopropylmethoxy)pyridine
CID 90156558
3-(cyclopropylmethoxy)-4-methoxypyridine
CID 150318193

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-4-ylmethoxy)-3-(trifluoromethyl)pyridine?
The IUPAC name of 4-(piperidin-4-ylmethoxy)-3-(trifluoromethyl)pyridine (CID 166105232) is 4-(piperidin-4-ylmethoxy)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(piperidin-4-ylmethoxy)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(piperidin-4-ylmethoxy)-3-(trifluoromethyl)pyridine is FC(F)(F)c1cnccc1OCC1CCNCC1.
What is the InChIKey of 4-(piperidin-4-ylmethoxy)-3-(trifluoromethyl)pyridine?
The InChIKey is ZBZSBMPRRKPKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)10-7-17-6-3-11(10)18-8-9-1-4-16-5-2-9/h3,6-7,9,16H,1-2,4-5,8H2.
What are the key properties of 4-(piperidin-4-ylmethoxy)-3-(trifluoromethyl)pyridine?
4-(piperidin-4-ylmethoxy)-3-(trifluoromethyl)pyridine has a molecular weight of 260.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-4-ylmethoxy)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 166105232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).