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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Related Compounds

2-[4-fluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-yl]acetic acid
CID 83059146
5-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 61342915
(1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 97055121
1-morpholin-4-yl-2,3-dihydroindene-1-carboxylic acid
CID 43803284
2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)-2-methylpropanoic acid
CID 83069348
2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid
CID 107432549
1-[ethyl(formyl)amino]-4-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 83066334
2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)pentanoic acid
CID 83069818
5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 105481657
2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetaldehyde
CID 114795365
1-(2-chloroanilino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 83065301
4-fluoro-1-(propoxymethyl)-2,3-dihydroinden-1-ol
CID 83069804

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).