4-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]piperidine

C14H16F3NO2 — CID 117463462

IUPAC4-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]piperidine
SMILESFC(F)(F)c1ccc(C2CCNCC2)c2c1OCCO2
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)11-2-1-10(9-3-5-18-6-4-9)12-13(11)20-8-7-19-12/h1-2,9,18H,3-8H2
InChIKeyGJXRIBYMIIJFLR-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.94
Rot. Bonds1

About 4-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]piperidine

4-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]piperidine (PubChem CID 117463462) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]piperidine.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]piperidine
PubChem CID117463462
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name4-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]piperidine
SMILESFC(F)(F)c1ccc(C2CCNCC2)c2c1OCCO2
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)11-2-1-10(9-3-5-18-6-4-9)12-13(11)20-8-7-19-12/h1-2,9,18H,3-8H2
InChIKeyGJXRIBYMIIJFLR-UHFFFAOYSA-N
XLogP2.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-9-yl]pyrrolidine
CID 117463459
1-[8-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine
CID 71242641
4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine
CID 118483533
4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
CID 117418008
3-[2-bromo-3-(trifluoromethyl)phenyl]pyrrolidine
CID 117103970
4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine
CID 83392377
3-[6-(trifluoromethyl)-1,3-benzodioxol-5-yl]pyrrolidine
CID 84709827
3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 84684759
4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 118483483
(4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
CID 46911909
5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxine-8-carbaldehyde
CID 84695335
2-methoxy-6-pyrrolidin-3-yl-3-(trifluoromethyl)phenol
CID 84710536

Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]piperidine?
The IUPAC name of 4-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]piperidine (CID 117463462) is 4-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]piperidine.
What is the SMILES notation for 4-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]piperidine?
The canonical SMILES for 4-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]piperidine is FC(F)(F)c1ccc(C2CCNCC2)c2c1OCCO2.
What is the InChIKey of 4-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]piperidine?
The InChIKey is GJXRIBYMIIJFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)11-2-1-10(9-3-5-18-6-4-9)12-13(11)20-8-7-19-12/h1-2,9,18H,3-8H2.
What are the key properties of 4-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]piperidine?
4-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]piperidine has a molecular weight of 287.28 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]piperidine is sourced from PubChem (CID 117463462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).