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

C18H18FNO2 — CID 126471491

IUPAC6-(4-fluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESFc1ccc(-c2ccc3c(c2)COC2(CCNCC2)O3)cc1
InChIInChI=1S/C18H18FNO2/c19-16-4-1-13(2-5-16)14-3-6-17-15(11-14)12-21-18(22-17)7-9-20-10-8-18/h1-6,11,20H,7-10,12H2
InChIKeyFNAVHTUDPIQWOV-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.48
Rot. Bonds1

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

6-(4-fluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] (PubChem CID 126471491) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 6-(4-fluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine].

Molecular Properties

Compound Name6-(4-fluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]
PubChem CID126471491
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name6-(4-fluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESFc1ccc(-c2ccc3c(c2)COC2(CCNCC2)O3)cc1
InChIInChI=1S/C18H18FNO2/c19-16-4-1-13(2-5-16)14-3-6-17-15(11-14)12-21-18(22-17)7-9-20-10-8-18/h1-6,11,20H,7-10,12H2
InChIKeyFNAVHTUDPIQWOV-UHFFFAOYSA-N
XLogP3.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(4-fluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The IUPAC name of 6-(4-fluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] (CID 126471491) is 6-(4-fluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine].
What is the SMILES notation for 6-(4-fluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The canonical SMILES for 6-(4-fluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] is Fc1ccc(-c2ccc3c(c2)COC2(CCNCC2)O3)cc1.
What is the InChIKey of 6-(4-fluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The InChIKey is FNAVHTUDPIQWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-16-4-1-13(2-5-16)14-3-6-17-15(11-14)12-21-18(22-17)7-9-20-10-8-18/h1-6,11,20H,7-10,12H2.
What are the key properties of 6-(4-fluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
6-(4-fluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] has a molecular weight of 299.35 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] is sourced from PubChem (CID 126471491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).