3-(1,3-dioxol-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine

C14H15F3N2O2 — CID 176898762

IUPAC3-(1,3-dioxol-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine
SMILESFC(F)(F)C1CCNC(c2ncccc2C2OC=CO2)C1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)9-3-5-18-11(8-9)12-10(2-1-4-19-12)13-20-6-7-21-13/h1-2,4,6-7,9,11,13,18H,3,5,8H2
InChIKeyLFCYYACXCIQROA-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.20
Rot. Bonds2

About 3-(1,3-dioxol-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine

3-(1,3-dioxol-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine (PubChem CID 176898762) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 3-(1,3-dioxol-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-(1,3-dioxol-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine
PubChem CID176898762
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name3-(1,3-dioxol-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine
SMILESFC(F)(F)C1CCNC(c2ncccc2C2OC=CO2)C1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)9-3-5-18-11(8-9)12-10(2-1-4-19-12)13-20-6-7-21-13/h1-2,4,6-7,9,11,13,18H,3,5,8H2
InChIKeyLFCYYACXCIQROA-UHFFFAOYSA-N
XLogP3.20
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R,4S)-4-(trifluoromethyl)piperidin-2-yl]pyridine
CID 176898727
2-phenyl-4-(trifluoromethyl)piperidine
CID 66330695
2-(2-phenylpyrazol-3-yl)-4-(trifluoromethyl)piperidine
CID 107331187
3-[(2S)-azetidin-2-yl]-2-fluoropyridine
CID 55278495
2-[2-(1,3-dioxolan-2-yl)-3-pyridinyl]-4-(trifluoromethyl)piperidine-1-carbaldehyde
CID 170947855
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)piperidine
CID 66328132
tert-butyl 5-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]pyrazole-1-carboxylate
CID 135283938
2-fluoro-3-[(2S)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171196297
2-chloro-3-[(2S)-pyrrolidin-2-yl]pyridine
CID 55278492
(2S,6S)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene
CID 11147878
2-(naphthalen-1-ylmethyl)-4-(trifluoromethyl)piperidine
CID 106778526
4-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 106778831

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxol-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine?
The IUPAC name of 3-(1,3-dioxol-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine (CID 176898762) is 3-(1,3-dioxol-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine.
What is the SMILES notation for 3-(1,3-dioxol-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine?
The canonical SMILES for 3-(1,3-dioxol-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine is FC(F)(F)C1CCNC(c2ncccc2C2OC=CO2)C1.
What is the InChIKey of 3-(1,3-dioxol-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine?
The InChIKey is LFCYYACXCIQROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)9-3-5-18-11(8-9)12-10(2-1-4-19-12)13-20-6-7-21-13/h1-2,4,6-7,9,11,13,18H,3,5,8H2.
What are the key properties of 3-(1,3-dioxol-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine?
3-(1,3-dioxol-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine has a molecular weight of 300.28 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxol-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine is sourced from PubChem (CID 176898762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).