6-fluoro-8-piperazin-1-yl-3,4-dihydro-2H-chromene-2-carboxylic acid

C14H17FN2O3 — CID 71192270

IUPAC6-fluoro-8-piperazin-1-yl-3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESO=C(O)C1CCc2cc(F)cc(N3CCNCC3)c2O1
InChIInChI=1S/C14H17FN2O3/c15-10-7-9-1-2-12(14(18)19)20-13(9)11(8-10)17-5-3-16-4-6-17/h7-8,12,16H,1-6H2,(H,18,19)
InChIKeyOJBLBKJJBPBRJU-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.01
Rot. Bonds2

About 6-fluoro-8-piperazin-1-yl-3,4-dihydro-2H-chromene-2-carboxylic acid

6-fluoro-8-piperazin-1-yl-3,4-dihydro-2H-chromene-2-carboxylic acid (PubChem CID 71192270) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 6-fluoro-8-piperazin-1-yl-3,4-dihydro-2H-chromene-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-8-piperazin-1-yl-3,4-dihydro-2H-chromene-2-carboxylic acid
PubChem CID71192270
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name6-fluoro-8-piperazin-1-yl-3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESO=C(O)C1CCc2cc(F)cc(N3CCNCC3)c2O1
InChIInChI=1S/C14H17FN2O3/c15-10-7-9-1-2-12(14(18)19)20-13(9)11(8-10)17-5-3-16-4-6-17/h7-8,12,16H,1-6H2,(H,18,19)
InChIKeyOJBLBKJJBPBRJU-UHFFFAOYSA-N
XLogP1.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-piperazin-1-yl-3,4-dihydro-2H-chromene-2-carboxylic acid?
The IUPAC name of 6-fluoro-8-piperazin-1-yl-3,4-dihydro-2H-chromene-2-carboxylic acid (CID 71192270) is 6-fluoro-8-piperazin-1-yl-3,4-dihydro-2H-chromene-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-8-piperazin-1-yl-3,4-dihydro-2H-chromene-2-carboxylic acid?
The canonical SMILES for 6-fluoro-8-piperazin-1-yl-3,4-dihydro-2H-chromene-2-carboxylic acid is O=C(O)C1CCc2cc(F)cc(N3CCNCC3)c2O1.
What is the InChIKey of 6-fluoro-8-piperazin-1-yl-3,4-dihydro-2H-chromene-2-carboxylic acid?
The InChIKey is OJBLBKJJBPBRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-10-7-9-1-2-12(14(18)19)20-13(9)11(8-10)17-5-3-16-4-6-17/h7-8,12,16H,1-6H2,(H,18,19).
What are the key properties of 6-fluoro-8-piperazin-1-yl-3,4-dihydro-2H-chromene-2-carboxylic acid?
6-fluoro-8-piperazin-1-yl-3,4-dihydro-2H-chromene-2-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-piperazin-1-yl-3,4-dihydro-2H-chromene-2-carboxylic acid is sourced from PubChem (CID 71192270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).