6-fluoro-3-(4-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol

C15H20FNO2 — CID 82186959

IUPAC6-fluoro-3-(4-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC1CCN(C2COc3ccc(F)cc3C2O)CC1
InChIInChI=1S/C15H20FNO2/c1-10-4-6-17(7-5-10)13-9-19-14-3-2-11(16)8-12(14)15(13)18/h2-3,8,10,13,15,18H,4-7,9H2,1H3
InChIKeyGCHSINNPYQTTML-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.35
Rot. Bonds1

About 6-fluoro-3-(4-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol

6-fluoro-3-(4-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 82186959) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 6-fluoro-3-(4-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-fluoro-3-(4-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID82186959
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name6-fluoro-3-(4-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC1CCN(C2COc3ccc(F)cc3C2O)CC1
InChIInChI=1S/C15H20FNO2/c1-10-4-6-17(7-5-10)13-9-19-14-3-2-11(16)8-12(14)15(13)18/h2-3,8,10,13,15,18H,4-7,9H2,1H3
InChIKeyGCHSINNPYQTTML-UHFFFAOYSA-N
XLogP2.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol
CID 82186929
3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 63622299
1-[(3S,4R)-6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-4-phenylpiperidin-4-ol
CID 54161389
6-methyl-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 82186640
6-ethoxy-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 82187138
1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one
CID 82186692
6-ethoxy-3-piperidin-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 82187147
methyl 1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-4-carboxylate
CID 82186516
3-[bis(2-hydroxyethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 82186946
3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol
CID 63165497
1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 83906491
1-[4-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone
CID 82186504

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(4-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-fluoro-3-(4-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol (CID 82186959) is 6-fluoro-3-(4-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-fluoro-3-(4-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-fluoro-3-(4-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol is CC1CCN(C2COc3ccc(F)cc3C2O)CC1.
What is the InChIKey of 6-fluoro-3-(4-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is GCHSINNPYQTTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10-4-6-17(7-5-10)13-9-19-14-3-2-11(16)8-12(14)15(13)18/h2-3,8,10,13,15,18H,4-7,9H2,1H3.
What are the key properties of 6-fluoro-3-(4-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol?
6-fluoro-3-(4-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 265.33 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(4-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 82186959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).