[6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-piperidin-1-ylmethanone

C19H17F2NO3 — CID 142857708

IUPAC[6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc2c(cc1F)OC(c1ccc(F)cc1)O2)N1CCCCC1
InChIInChI=1S/C19H17F2NO3/c20-13-6-4-12(5-7-13)19-24-16-10-14(15(21)11-17(16)25-19)18(23)22-8-2-1-3-9-22/h4-7,10-11,19H,1-3,8-9H2
InChIKeyZPHWIDSKJATHQU-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.06
Rot. Bonds2

About [6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-piperidin-1-ylmethanone

[6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-piperidin-1-ylmethanone (PubChem CID 142857708) has the molecular formula C19H17F2NO3 and a molecular weight of 345.35 g/mol. Its IUPAC name is [6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-piperidin-1-ylmethanone
PubChem CID142857708
Molecular FormulaC19H17F2NO3
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name[6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc2c(cc1F)OC(c1ccc(F)cc1)O2)N1CCCCC1
InChIInChI=1S/C19H17F2NO3/c20-13-6-4-12(5-7-13)19-24-16-10-14(15(21)11-17(16)25-19)18(23)22-8-2-1-3-9-22/h4-7,10-11,19H,1-3,8-9H2
InChIKeyZPHWIDSKJATHQU-UHFFFAOYSA-N
XLogP4.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
(2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride
CID 171361960
(2-fluoro-5-hydroxy-4-methylphenyl)-piperidin-1-ylmethanone
CID 171906066
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
CID 24691759
(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
CID 103615017
(2-amino-4-fluorophenyl)-(azocan-1-yl)methanone
CID 55139020
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
(4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone
CID 82772045
azepan-1-yl-(4-fluoro-2-nitrophenyl)methanone
CID 115692646

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-piperidin-1-ylmethanone (CID 142857708) is [6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-piperidin-1-ylmethanone is O=C(c1cc2c(cc1F)OC(c1ccc(F)cc1)O2)N1CCCCC1.
What is the InChIKey of [6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is ZPHWIDSKJATHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO3/c20-13-6-4-12(5-7-13)19-24-16-10-14(15(21)11-17(16)25-19)18(23)22-8-2-1-3-9-22/h4-7,10-11,19H,1-3,8-9H2.
What are the key properties of [6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-piperidin-1-ylmethanone?
[6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 345.35 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 142857708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).