6-(3-fluorophenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]

C19H20FNO2 — CID 126474509

IUPAC6-(3-fluorophenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESCN1CCC2(CC1)OCc1cc(-c3cccc(F)c3)ccc1O2
InChIInChI=1S/C19H20FNO2/c1-21-9-7-19(8-10-21)22-13-16-11-15(5-6-18(16)23-19)14-3-2-4-17(20)12-14/h2-6,11-12H,7-10,13H2,1H3
InChIKeyQPLHVUKRVSJFHV-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.82
Rot. Bonds1

About 6-(3-fluorophenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]

6-(3-fluorophenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine] (PubChem CID 126474509) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine].

Molecular Properties

Compound Name6-(3-fluorophenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]
PubChem CID126474509
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name6-(3-fluorophenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESCN1CCC2(CC1)OCc1cc(-c3cccc(F)c3)ccc1O2
InChIInChI=1S/C19H20FNO2/c1-21-9-7-19(8-10-21)22-13-16-11-15(5-6-18(16)23-19)14-3-2-4-17(20)12-14/h2-6,11-12H,7-10,13H2,1H3
InChIKeyQPLHVUKRVSJFHV-UHFFFAOYSA-N
XLogP3.82
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The IUPAC name of 6-(3-fluorophenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine] (CID 126474509) is 6-(3-fluorophenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine].
What is the SMILES notation for 6-(3-fluorophenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The canonical SMILES for 6-(3-fluorophenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine] is CN1CCC2(CC1)OCc1cc(-c3cccc(F)c3)ccc1O2.
What is the InChIKey of 6-(3-fluorophenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The InChIKey is QPLHVUKRVSJFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-21-9-7-19(8-10-21)22-13-16-11-15(5-6-18(16)23-19)14-3-2-4-17(20)12-14/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of 6-(3-fluorophenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]?
6-(3-fluorophenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine] has a molecular weight of 313.37 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine] is sourced from PubChem (CID 126474509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).