4-fluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydroindene-1-carboxylic acid

C15H19FN2O2 — CID 83069177

IUPAC4-fluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydroindene-1-carboxylic acid
SMILESCN1CCN(C2(C(=O)O)CCc3c(F)cccc32)CC1
InChIInChI=1S/C15H19FN2O2/c1-17-7-9-18(10-8-17)15(14(19)20)6-5-11-12(15)3-2-4-13(11)16/h2-4H,5-10H2,1H3,(H,19,20)
InChIKeyKDUZKEYDCDMZHV-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.30
Rot. Bonds2

About 4-fluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydroindene-1-carboxylic acid

4-fluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydroindene-1-carboxylic acid (PubChem CID 83069177) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-fluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydroindene-1-carboxylic acid
PubChem CID83069177
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name4-fluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydroindene-1-carboxylic acid
SMILESCN1CCN(C2(C(=O)O)CCc3c(F)cccc32)CC1
InChIInChI=1S/C15H19FN2O2/c1-17-7-9-18(10-8-17)15(14(19)20)6-5-11-12(15)3-2-4-13(11)16/h2-4H,5-10H2,1H3,(H,19,20)
InChIKeyKDUZKEYDCDMZHV-UHFFFAOYSA-N
XLogP1.30
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 4-fluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydroindene-1-carboxylic acid (CID 83069177) is 4-fluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 4-fluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydroindene-1-carboxylic acid is CN1CCN(C2(C(=O)O)CCc3c(F)cccc32)CC1.
What is the InChIKey of 4-fluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is KDUZKEYDCDMZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-17-7-9-18(10-8-17)15(14(19)20)6-5-11-12(15)3-2-4-13(11)16/h2-4H,5-10H2,1H3,(H,19,20).
What are the key properties of 4-fluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydroindene-1-carboxylic acid?
4-fluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 83069177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).