3-[[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methyl]-5-fluoro-1H-indole

C24H27FN2O3 — CID 10272986

IUPAC3-[[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methyl]-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(CC3CCN(CCOc4cccc5c4OCCO5)CC3)c2c1
InChIInChI=1S/C24H27FN2O3/c25-19-4-5-21-20(15-19)18(16-26-21)14-17-6-8-27(9-7-17)10-11-28-22-2-1-3-23-24(22)30-13-12-29-23/h1-5,15-17,26H,6-14H2
InChIKeyRBQMHQKLCCUIDH-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.41
Rot. Bonds6

About 3-[[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methyl]-5-fluoro-1H-indole

3-[[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methyl]-5-fluoro-1H-indole (PubChem CID 10272986) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 3-[[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methyl]-5-fluoro-1H-indole.

Molecular Properties

Compound Name3-[[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methyl]-5-fluoro-1H-indole
PubChem CID10272986
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name3-[[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methyl]-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(CC3CCN(CCOc4cccc5c4OCCO5)CC3)c2c1
InChIInChI=1S/C24H27FN2O3/c25-19-4-5-21-20(15-19)18(16-26-21)14-17-6-8-27(9-7-17)10-11-28-22-2-1-3-23-24(22)30-13-12-29-23/h1-5,15-17,26H,6-14H2
InChIKeyRBQMHQKLCCUIDH-UHFFFAOYSA-N
XLogP4.41
TPSA46.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methyl]-5-fluoro-1H-indole with MolForge

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Related Compounds

3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1H-indole
CID 3504099
[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-ethyl]-[3-(5-fluoro-1H-indol-3-yl)-propyl]-amine
CID 9885700
3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-ethyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1H-indole
CID 9929572
3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-ethyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-6-fluoro-1H-indole
CID 10271949
[2-(6-Fluoro-chroman-8-yloxy)-ethyl]-[3-(5-fluoro-1H-indol-3-yl)-propyl]-amine
CID 10362715
3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl]-butyl}-5-methoxy-1H-indole
CID 11154398
[3-(5-Fluoro-1H-indol-3-yl)-propyl]-[2-(2-Methoxy-phenoxy)ethyl]-amine
CID 11221557
[3-(5-Fluoro-1H-indol-3-yl)propyl]-[2-(5-fluoro-2-methoxy-phenoxy)-ethyl]-amine
CID 11382841
3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl]-propyl}-7-fluoro-1H-indole
CID 11552981
3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl]-propyl}-5-methyl-1H-indole
CID 11560215
3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl]-propyl}-1H-indole
CID 11588926
3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl]-propyl}-5-fluoro-1H-indole
CID 11596369

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methyl]-5-fluoro-1H-indole?
The IUPAC name of 3-[[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methyl]-5-fluoro-1H-indole (CID 10272986) is 3-[[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methyl]-5-fluoro-1H-indole.
What is the SMILES notation for 3-[[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methyl]-5-fluoro-1H-indole?
The canonical SMILES for 3-[[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methyl]-5-fluoro-1H-indole is Fc1ccc2[nH]cc(CC3CCN(CCOc4cccc5c4OCCO5)CC3)c2c1.
What is the InChIKey of 3-[[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methyl]-5-fluoro-1H-indole?
The InChIKey is RBQMHQKLCCUIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c25-19-4-5-21-20(15-19)18(16-26-21)14-17-6-8-27(9-7-17)10-11-28-22-2-1-3-23-24(22)30-13-12-29-23/h1-5,15-17,26H,6-14H2.
What are the key properties of 3-[[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methyl]-5-fluoro-1H-indole?
3-[[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methyl]-5-fluoro-1H-indole has a molecular weight of 410.49 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methyl]-5-fluoro-1H-indole is sourced from PubChem (CID 10272986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).