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

C13H16FNO3 — CID 117385564

IUPAC5-fluoro-7-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESOc1c(C2CCCCN2)cc2c(c1F)OCCO2
InChIInChI=1S/C13H16FNO3/c14-11-12(16)8(9-3-1-2-4-15-9)7-10-13(11)18-6-5-17-10/h7,9,15-16H,1-6H2
InChIKeyUXGACESIMNOFKO-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.12
Rot. Bonds1

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

5-fluoro-7-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol (PubChem CID 117385564) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 5-fluoro-7-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol.

Molecular Properties

Compound Name5-fluoro-7-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
PubChem CID117385564
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name5-fluoro-7-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESOc1c(C2CCCCN2)cc2c(c1F)OCCO2
InChIInChI=1S/C13H16FNO3/c14-11-12(16)8(9-3-1-2-4-15-9)7-10-13(11)18-6-5-17-10/h7,9,15-16H,1-6H2
InChIKeyUXGACESIMNOFKO-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

7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117385570
2-(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117423106
5-(5-fluoro-6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine-3-carboxylic acid
CID 117455175
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117387275
2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine
CID 117376371
2-fluoro-4-methyl-6-[(2R)-piperidin-2-yl]phenol
CID 131447438
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117319502
2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
CID 117371289
4-fluoro-6-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-ol
CID 117385663
2-[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine
CID 117417339
2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine
CID 117381261
2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)piperidine
CID 117486174

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol?
The IUPAC name of 5-fluoro-7-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol (CID 117385564) is 5-fluoro-7-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol.
What is the SMILES notation for 5-fluoro-7-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol?
The canonical SMILES for 5-fluoro-7-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol is Oc1c(C2CCCCN2)cc2c(c1F)OCCO2.
What is the InChIKey of 5-fluoro-7-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol?
The InChIKey is UXGACESIMNOFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c14-11-12(16)8(9-3-1-2-4-15-9)7-10-13(11)18-6-5-17-10/h7,9,15-16H,1-6H2.
What are the key properties of 5-fluoro-7-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol?
5-fluoro-7-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 5-fluoro-7-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol is sourced from PubChem (CID 117385564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).