7-piperidin-4-yl-6-(trifluoromethyl)-[1,3]dioxolo[4,5-f]benzimidazole

C14H14F3N3O2 — CID 94748809

IUPAC7-piperidin-4-yl-6-(trifluoromethyl)-[1,3]dioxolo[4,5-f]benzimidazole
SMILESFC(F)(F)c1nc2cc3c(cc2n1C1CCNCC1)OCO3
InChIInChI=1S/C14H14F3N3O2/c15-14(16,17)13-19-9-5-11-12(22-7-21-11)6-10(9)20(13)8-1-3-18-4-2-8/h5-6,8,18H,1-4,7H2
InChIKeyCMNONYSFXAHSLC-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.71
Rot. Bonds1

About 7-piperidin-4-yl-6-(trifluoromethyl)-[1,3]dioxolo[4,5-f]benzimidazole

7-piperidin-4-yl-6-(trifluoromethyl)-[1,3]dioxolo[4,5-f]benzimidazole (PubChem CID 94748809) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 7-piperidin-4-yl-6-(trifluoromethyl)-[1,3]dioxolo[4,5-f]benzimidazole.

Molecular Properties

Compound Name7-piperidin-4-yl-6-(trifluoromethyl)-[1,3]dioxolo[4,5-f]benzimidazole
PubChem CID94748809
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name7-piperidin-4-yl-6-(trifluoromethyl)-[1,3]dioxolo[4,5-f]benzimidazole
SMILESFC(F)(F)c1nc2cc3c(cc2n1C1CCNCC1)OCO3
InChIInChI=1S/C14H14F3N3O2/c15-14(16,17)13-19-9-5-11-12(22-7-21-11)6-10(9)20(13)8-1-3-18-4-2-8/h5-6,8,18H,1-4,7H2
InChIKeyCMNONYSFXAHSLC-UHFFFAOYSA-N
XLogP2.71
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-piperidin-4-yl-6-(trifluoromethyl)-[1,3]dioxolo[4,5-f]benzimidazole 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 7-piperidin-4-yl-6-(trifluoromethyl)-[1,3]dioxolo[4,5-f]benzimidazole?
The IUPAC name of 7-piperidin-4-yl-6-(trifluoromethyl)-[1,3]dioxolo[4,5-f]benzimidazole (CID 94748809) is 7-piperidin-4-yl-6-(trifluoromethyl)-[1,3]dioxolo[4,5-f]benzimidazole.
What is the SMILES notation for 7-piperidin-4-yl-6-(trifluoromethyl)-[1,3]dioxolo[4,5-f]benzimidazole?
The canonical SMILES for 7-piperidin-4-yl-6-(trifluoromethyl)-[1,3]dioxolo[4,5-f]benzimidazole is FC(F)(F)c1nc2cc3c(cc2n1C1CCNCC1)OCO3.
What is the InChIKey of 7-piperidin-4-yl-6-(trifluoromethyl)-[1,3]dioxolo[4,5-f]benzimidazole?
The InChIKey is CMNONYSFXAHSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c15-14(16,17)13-19-9-5-11-12(22-7-21-11)6-10(9)20(13)8-1-3-18-4-2-8/h5-6,8,18H,1-4,7H2.
What are the key properties of 7-piperidin-4-yl-6-(trifluoromethyl)-[1,3]dioxolo[4,5-f]benzimidazole?
7-piperidin-4-yl-6-(trifluoromethyl)-[1,3]dioxolo[4,5-f]benzimidazole has a molecular weight of 313.28 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-6-(trifluoromethyl)-[1,3]dioxolo[4,5-f]benzimidazole is sourced from PubChem (CID 94748809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).