7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol

C13H16FNO3 — CID 117385570

IUPAC7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESOc1c(F)cc2c(c1C1CCCCN1)OCCO2
InChIInChI=1S/C13H16FNO3/c14-8-7-10-13(18-6-5-17-10)11(12(8)16)9-3-1-2-4-15-9/h7,9,15-16H,1-6H2
InChIKeyZISAFDKLVYGVKP-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.12
Rot. Bonds1

About 7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol

7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol (PubChem CID 117385570) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol.

Molecular Properties

Compound Name7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
PubChem CID117385570
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESOc1c(F)cc2c(c1C1CCCCN1)OCCO2
InChIInChI=1S/C13H16FNO3/c14-8-7-10-13(18-6-5-17-10)11(12(8)16)9-3-1-2-4-15-9/h7,9,15-16H,1-6H2
InChIKeyZISAFDKLVYGVKP-UHFFFAOYSA-N
XLogP2.12
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-7-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117385564
2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117385693
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117319502
2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)piperidine
CID 117486174
2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine
CID 117385569
2-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidine
CID 117346616
2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine
CID 117463427
8-fluoro-6-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117451478
2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117387320
5-bromo-3-fluoro-4-piperidin-2-ylbenzene-1,2-diol
CID 117468272
8-fluoro-6-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117421556
2-(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117423106

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol?
The IUPAC name of 7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol (CID 117385570) is 7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol.
What is the SMILES notation for 7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol?
The canonical SMILES for 7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol is Oc1c(F)cc2c(c1C1CCCCN1)OCCO2.
What is the InChIKey of 7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol?
The InChIKey is ZISAFDKLVYGVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c14-8-7-10-13(18-6-5-17-10)11(12(8)16)9-3-1-2-4-15-9/h7,9,15-16H,1-6H2.
What are the key properties of 7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol?
7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol has a molecular weight of 253.27 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol is sourced from PubChem (CID 117385570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).