2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine

C14H16F3NO2 — CID 117463427

IUPAC2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine
SMILESFC(F)(F)c1ccc2c(c1C1CCCCN1)OCCO2
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)9-4-5-11-13(20-8-7-19-11)12(9)10-3-1-2-6-18-10/h4-5,10,18H,1-3,6-8H2
InChIKeyULNWQZNKNBJIOQ-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.29
Rot. Bonds1

About 2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine

2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine (PubChem CID 117463427) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine
PubChem CID117463427
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine
SMILESFC(F)(F)c1ccc2c(c1C1CCCCN1)OCCO2
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)9-4-5-11-13(20-8-7-19-11)12(9)10-3-1-2-6-18-10/h4-5,10,18H,1-3,6-8H2
InChIKeyULNWQZNKNBJIOQ-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidine
CID 117346616
7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117385570
2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
CID 5210314
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 51716217
2-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117408174
2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117385693
2-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 117381903
2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)piperidine
CID 117486174
2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117387320
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117319502
3-piperidin-2-yl-4-(trifluoromethyl)pyridine
CID 103692989
2-piperidin-2-yl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 115061404

Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine?
The IUPAC name of 2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine (CID 117463427) is 2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine.
What is the SMILES notation for 2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine?
The canonical SMILES for 2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine is FC(F)(F)c1ccc2c(c1C1CCCCN1)OCCO2.
What is the InChIKey of 2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine?
The InChIKey is ULNWQZNKNBJIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)9-4-5-11-13(20-8-7-19-11)12(9)10-3-1-2-6-18-10/h4-5,10,18H,1-3,6-8H2.
What are the key properties of 2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine?
2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine has a molecular weight of 287.28 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine is sourced from PubChem (CID 117463427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).