1-(5-fluoro-2-hydroxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone

C16H21FN2O2 — CID 63170090

IUPAC1-(5-fluoro-2-hydroxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCC(N2CCCC2)C1)c1cc(F)ccc1O
InChIInChI=1S/C16H21FN2O2/c17-12-3-4-15(20)14(9-12)16(21)11-18-8-5-13(10-18)19-6-1-2-7-19/h3-4,9,13,20H,1-2,5-8,10-11H2
InChIKeyIPPRGQQDGVBWEU-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.88
Rot. Bonds4

About 1-(5-fluoro-2-hydroxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone

1-(5-fluoro-2-hydroxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone (PubChem CID 63170090) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
PubChem CID63170090
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name1-(5-fluoro-2-hydroxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCC(N2CCCC2)C1)c1cc(F)ccc1O
InChIInChI=1S/C16H21FN2O2/c17-12-3-4-15(20)14(9-12)16(21)11-18-8-5-13(10-18)19-6-1-2-7-19/h3-4,9,13,20H,1-2,5-8,10-11H2
InChIKeyIPPRGQQDGVBWEU-UHFFFAOYSA-N
XLogP1.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-hydroxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanone
CID 113418142
1-(5-fluoro-2-hydroxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 66392126
1-(2,5-dimethylthiophen-3-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170132
(2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 75977527
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(3,4-dihydroxyphenyl)ethanone
CID 79917562
1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170628
1-(4-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170265
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(2,5-difluorophenyl)ethanone
CID 43228979
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-fluorophenyl)ethanone
CID 79943016
1-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170716
5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid
CID 63170206
1-(3-bromophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170629

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone (CID 63170090) is 1-(5-fluoro-2-hydroxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(5-fluoro-2-hydroxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(5-fluoro-2-hydroxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone is O=C(CN1CCC(N2CCCC2)C1)c1cc(F)ccc1O.
What is the InChIKey of 1-(5-fluoro-2-hydroxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone?
The InChIKey is IPPRGQQDGVBWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-12-3-4-15(20)14(9-12)16(21)11-18-8-5-13(10-18)19-6-1-2-7-19/h3-4,9,13,20H,1-2,5-8,10-11H2.
What are the key properties of 1-(5-fluoro-2-hydroxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone?
1-(5-fluoro-2-hydroxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone has a molecular weight of 292.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 63170090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).