6-fluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol

C15H21FN2O3 — CID 82186929

IUPAC6-fluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol
SMILESOCCN1CCN(C2COc3ccc(F)cc3C2O)CC1
InChIInChI=1S/C15H21FN2O3/c16-11-1-2-14-12(9-11)15(20)13(10-21-14)18-5-3-17(4-6-18)7-8-19/h1-2,9,13,15,19-20H,3-8,10H2
InChIKeyOUCNBJJFPYIFGO-UHFFFAOYSA-N
MW296.34 g/mol
LogP0.23
Rot. Bonds3

About 6-fluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol

6-fluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol (PubChem CID 82186929) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 6-fluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-fluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol
PubChem CID82186929
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name6-fluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol
SMILESOCCN1CCN(C2COc3ccc(F)cc3C2O)CC1
InChIInChI=1S/C15H21FN2O3/c16-11-1-2-14-12(9-11)15(20)13(10-21-14)18-5-3-17(4-6-18)7-8-19/h1-2,9,13,15,19-20H,3-8,10H2
InChIKeyOUCNBJJFPYIFGO-UHFFFAOYSA-N
XLogP0.23
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-fluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol (CID 82186929) is 6-fluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-fluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-fluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol is OCCN1CCN(C2COc3ccc(F)cc3C2O)CC1.
What is the InChIKey of 6-fluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is OUCNBJJFPYIFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c16-11-1-2-14-12(9-11)15(20)13(10-21-14)18-5-3-17(4-6-18)7-8-19/h1-2,9,13,15,19-20H,3-8,10H2.
What are the key properties of 6-fluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol?
6-fluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 296.34 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 82186929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).