4-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine

C13H15F2NO2 — CID 117390767

IUPAC4-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine
SMILESFc1cc2c(c(C3CCNCC3)c1F)OCCO2
InChIInChI=1S/C13H15F2NO2/c14-9-7-10-13(18-6-5-17-10)11(12(9)15)8-1-3-16-4-2-8/h7-8,16H,1-6H2
InChIKeyPEIUMBYTAUPFLQ-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.20
Rot. Bonds1

About 4-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine

4-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine (PubChem CID 117390767) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 4-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine.

Molecular Properties

Compound Name4-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine
PubChem CID117390767
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name4-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine
SMILESFc1cc2c(c(C3CCNCC3)c1F)OCCO2
InChIInChI=1S/C13H15F2NO2/c14-9-7-10-13(18-6-5-17-10)11(12(9)15)8-1-3-16-4-2-8/h7-8,16H,1-6H2
InChIKeyPEIUMBYTAUPFLQ-UHFFFAOYSA-N
XLogP2.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine
CID 117338822
4-[(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117460260
4-(8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117452512
7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117385570
3-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperidine
CID 117451438
2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117385693
5-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117315855
3-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
CID 117322941
4-(2,6-difluoro-3,5-dimethylphenyl)piperidine
CID 84790268
3,5-difluoro-4-piperidin-4-ylphenol
CID 84782646
[5-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117457691
4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
CID 117418008

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine?
The IUPAC name of 4-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine (CID 117390767) is 4-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine.
What is the SMILES notation for 4-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine?
The canonical SMILES for 4-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine is Fc1cc2c(c(C3CCNCC3)c1F)OCCO2.
What is the InChIKey of 4-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine?
The InChIKey is PEIUMBYTAUPFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c14-9-7-10-13(18-6-5-17-10)11(12(9)15)8-1-3-16-4-2-8/h7-8,16H,1-6H2.
What are the key properties of 4-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine?
4-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine has a molecular weight of 255.26 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine is sourced from PubChem (CID 117390767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).