2-(6-fluoro-4H-1,3-benzodioxin-5-yl)piperidine

C13H16FNO2 — CID 84700030

IUPAC2-(6-fluoro-4H-1,3-benzodioxin-5-yl)piperidine
SMILESFc1ccc2c(c1C1CCCCN1)COCO2
InChIInChI=1S/C13H16FNO2/c14-10-4-5-12-9(7-16-8-17-12)13(10)11-3-1-2-6-15-11/h4-5,11,15H,1-3,6-8H2
InChIKeyPGZBUAGHUQMUIG-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.51
Rot. Bonds1

About 2-(6-fluoro-4H-1,3-benzodioxin-5-yl)piperidine

2-(6-fluoro-4H-1,3-benzodioxin-5-yl)piperidine (PubChem CID 84700030) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(6-fluoro-4H-1,3-benzodioxin-5-yl)piperidine.

Molecular Properties

Compound Name2-(6-fluoro-4H-1,3-benzodioxin-5-yl)piperidine
PubChem CID84700030
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-(6-fluoro-4H-1,3-benzodioxin-5-yl)piperidine
SMILESFc1ccc2c(c1C1CCCCN1)COCO2
InChIInChI=1S/C13H16FNO2/c14-10-4-5-12-9(7-16-8-17-12)13(10)11-3-1-2-6-15-11/h4-5,11,15H,1-3,6-8H2
InChIKeyPGZBUAGHUQMUIG-UHFFFAOYSA-N
XLogP2.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-4H-1,3-benzodioxin-5-yl)pyrrolidine
CID 84701571
2-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidine
CID 117346616
(2R)-2-(2,6-difluoro-3-methylphenyl)piperidine
CID 131271517
7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117385570
(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
(2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride
CID 171194835
2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride
CID 138040825
2,4-difluoro-3-pyrrolidin-2-ylphenol
CID 84775150
2-(6-chloro-4H-1,3-benzodioxin-7-yl)piperidine
CID 117387272
2-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
CID 117465059
2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine
CID 117385569
2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)piperidine
CID 117486174

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4H-1,3-benzodioxin-5-yl)piperidine?
The IUPAC name of 2-(6-fluoro-4H-1,3-benzodioxin-5-yl)piperidine (CID 84700030) is 2-(6-fluoro-4H-1,3-benzodioxin-5-yl)piperidine.
What is the SMILES notation for 2-(6-fluoro-4H-1,3-benzodioxin-5-yl)piperidine?
The canonical SMILES for 2-(6-fluoro-4H-1,3-benzodioxin-5-yl)piperidine is Fc1ccc2c(c1C1CCCCN1)COCO2.
What is the InChIKey of 2-(6-fluoro-4H-1,3-benzodioxin-5-yl)piperidine?
The InChIKey is PGZBUAGHUQMUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-10-4-5-12-9(7-16-8-17-12)13(10)11-3-1-2-6-15-11/h4-5,11,15H,1-3,6-8H2.
What are the key properties of 2-(6-fluoro-4H-1,3-benzodioxin-5-yl)piperidine?
2-(6-fluoro-4H-1,3-benzodioxin-5-yl)piperidine has a molecular weight of 237.27 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4H-1,3-benzodioxin-5-yl)piperidine is sourced from PubChem (CID 84700030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).