(2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone

C19H20FNO4 — CID 46215888

IUPAC(2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone
SMILESO=C([C@H](O)c1ccc(F)cc1)N1CCC(c2ccc(O)cc2O)CC1
InChIInChI=1S/C19H20FNO4/c20-14-3-1-13(2-4-14)18(24)19(25)21-9-7-12(8-10-21)16-6-5-15(22)11-17(16)23/h1-6,11-12,18,22-24H,7-10H2/t18-/m1/s1
InChIKeyIRHNLRJANPUNQJ-GOSISDBHSA-N
MW345.37 g/mol
LogP2.68
Rot. Bonds3

About (2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone

(2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone (PubChem CID 46215888) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is (2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone.

Molecular Properties

Compound Name(2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone
PubChem CID46215888
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name(2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone
SMILESO=C([C@H](O)c1ccc(F)cc1)N1CCC(c2ccc(O)cc2O)CC1
InChIInChI=1S/C19H20FNO4/c20-14-3-1-13(2-4-14)18(24)19(25)21-9-7-12(8-10-21)16-6-5-15(22)11-17(16)23/h1-6,11-12,18,22-24H,7-10H2/t18-/m1/s1
InChIKeyIRHNLRJANPUNQJ-GOSISDBHSA-N
XLogP2.68
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-3-phenylpropan-1-one
CID 67423273
2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone
CID 82127986
(2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
CID 97140073
(2S)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 46215195
2-(4-fluorophenyl)-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 134506544
1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone
CID 23587180
ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate
CID 46214205
(2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97122655
(2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone
CID 97284668
N-[(1S)-1-cyclohexylethyl]-4-(2,4-dihydroxyphenyl)piperidine-1-carboxamide
CID 46215196
cyclopropyl-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]methanone
CID 125474254
9-[2-(4-fluorophenyl)-2-hydroxyacetyl]-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 91782284

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone?
The IUPAC name of (2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone (CID 46215888) is (2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone.
What is the SMILES notation for (2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone?
The canonical SMILES for (2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone is O=C([C@H](O)c1ccc(F)cc1)N1CCC(c2ccc(O)cc2O)CC1.
What is the InChIKey of (2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone?
The InChIKey is IRHNLRJANPUNQJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20FNO4/c20-14-3-1-13(2-4-14)18(24)19(25)21-9-7-12(8-10-21)16-6-5-15(22)11-17(16)23/h1-6,11-12,18,22-24H,7-10H2/t18-/m1/s1.
What are the key properties of (2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone?
(2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone has a molecular weight of 345.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone is sourced from PubChem (CID 46215888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).