2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)piperidine

C14H16F3NO2 — CID 66328132

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCNC(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)10-3-4-18-11(8-10)9-1-2-12-13(7-9)20-6-5-19-12/h1-2,7,10-11,18H,3-6,8H2
InChIKeyFNJPIXFUVKGUJN-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.06
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)piperidine

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)piperidine (PubChem CID 66328132) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)piperidine
PubChem CID66328132
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCNC(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)10-3-4-18-11(8-10)9-1-2-12-13(7-9)20-6-5-19-12/h1-2,7,10-11,18H,3-6,8H2
InChIKeyFNJPIXFUVKGUJN-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-(trifluoromethyl)piperidine
CID 66330695
2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
CID 5210314
3-[(2R,4S)-4-(trifluoromethyl)piperidin-2-yl]pyridine
CID 176898727
[2-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol
CID 83918973
5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 82158646
(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
CID 66519216
3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)pyrazolidine
CID 71650916
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-methyl-1,4-thiazepane 1,1-dioxide
CID 66229507
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)pyrrolidine
CID 62763290
2-[2,3-dihydro-1,4-benzodioxin-6-yl(difluoro)methyl]pyrrolidine
CID 116838943
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride
CID 171196730
2-(1,3-benzodioxol-5-yl)piperazine
CID 2771771

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)piperidine (CID 66328132) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)piperidine is FC(F)(F)C1CCNC(c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)piperidine?
The InChIKey is FNJPIXFUVKGUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)10-3-4-18-11(8-10)9-1-2-12-13(7-9)20-6-5-19-12/h1-2,7,10-11,18H,3-6,8H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)piperidine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)piperidine has a molecular weight of 287.28 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 66328132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).