6-fluoro-5-(1-methylpiperidin-4-yl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole

C16H20FN3 — CID 163851171

IUPAC6-fluoro-5-(1-methylpiperidin-4-yl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole
SMILESCN1CCC(C2C3C(F)=CC=CC3c3cncn32)CC1
InChIInChI=1S/C16H20FN3/c1-19-7-5-11(6-8-19)16-15-12(3-2-4-13(15)17)14-9-18-10-20(14)16/h2-4,9-12,15-16H,5-8H2,1H3
InChIKeyOUMGLKYXWVRXNB-UHFFFAOYSA-N
MW273.35 g/mol
LogP2.90
Rot. Bonds1

About 6-fluoro-5-(1-methylpiperidin-4-yl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole

6-fluoro-5-(1-methylpiperidin-4-yl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole (PubChem CID 163851171) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is 6-fluoro-5-(1-methylpiperidin-4-yl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name6-fluoro-5-(1-methylpiperidin-4-yl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole
PubChem CID163851171
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC Name6-fluoro-5-(1-methylpiperidin-4-yl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole
SMILESCN1CCC(C2C3C(F)=CC=CC3c3cncn32)CC1
InChIInChI=1S/C16H20FN3/c1-19-7-5-11(6-8-19)16-15-12(3-2-4-13(15)17)14-9-18-10-20(14)16/h2-4,9-12,15-16H,5-8H2,1H3
InChIKeyOUMGLKYXWVRXNB-UHFFFAOYSA-N
XLogP2.90
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-(1-methylpiperidin-4-yl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 6-fluoro-5-(1-methylpiperidin-4-yl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole (CID 163851171) is 6-fluoro-5-(1-methylpiperidin-4-yl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 6-fluoro-5-(1-methylpiperidin-4-yl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 6-fluoro-5-(1-methylpiperidin-4-yl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole is CN1CCC(C2C3C(F)=CC=CC3c3cncn32)CC1.
What is the InChIKey of 6-fluoro-5-(1-methylpiperidin-4-yl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole?
The InChIKey is OUMGLKYXWVRXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-19-7-5-11(6-8-19)16-15-12(3-2-4-13(15)17)14-9-18-10-20(14)16/h2-4,9-12,15-16H,5-8H2,1H3.
What are the key properties of 6-fluoro-5-(1-methylpiperidin-4-yl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole?
6-fluoro-5-(1-methylpiperidin-4-yl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole has a molecular weight of 273.35 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-(1-methylpiperidin-4-yl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 163851171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).