(2S)-1-[4-(5-fluoro-2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one

C20H22FNO4 — CID 46215710

IUPAC(2S)-1-[4-(5-fluoro-2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one
SMILESC[C@@](O)(C(=O)N1CCC(c2cc(F)c(O)cc2O)CC1)c1ccccc1
InChIInChI=1S/C20H22FNO4/c1-20(26,14-5-3-2-4-6-14)19(25)22-9-7-13(8-10-22)15-11-16(21)18(24)12-17(15)23/h2-6,11-13,23-24,26H,7-10H2,1H3/t20-/m0/s1
InChIKeyCEJLMMZEXGOYJH-FQEVSTJZSA-N
MW359.40 g/mol
LogP2.85
Rot. Bonds3

About (2S)-1-[4-(5-fluoro-2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one

(2S)-1-[4-(5-fluoro-2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one (PubChem CID 46215710) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is (2S)-1-[4-(5-fluoro-2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-(5-fluoro-2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one
PubChem CID46215710
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name(2S)-1-[4-(5-fluoro-2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one
SMILESC[C@@](O)(C(=O)N1CCC(c2cc(F)c(O)cc2O)CC1)c1ccccc1
InChIInChI=1S/C20H22FNO4/c1-20(26,14-5-3-2-4-6-14)19(25)22-9-7-13(8-10-22)15-11-16(21)18(24)12-17(15)23/h2-6,11-13,23-24,26H,7-10H2,1H3/t20-/m0/s1
InChIKeyCEJLMMZEXGOYJH-FQEVSTJZSA-N
XLogP2.85
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
CID 46214870
N-(diaminomethylidene)-4-[1-[(2R)-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide
CID 58269641
4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 46215547
N-(2-ethylbutyl)-4-(5-fluoro-2,4-dihydroxyphenyl)piperidine-1-carboxamide
CID 46241088
(2S)-2-hydroxy-1-(4-methyl-3-phenylpiperidin-1-yl)-2-phenylpropan-1-one
CID 154801264
2-hydroxy-1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110882787
bis[4-(2-fluorophenyl)piperidin-1-yl]methanone
CID 174617068
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648
(3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 146427603
tert-butyl 4-[2-hydroxy-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 118550893
2-hydroxy-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-phenylpropan-1-one
CID 162629771
1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone
CID 140512858

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(5-fluoro-2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one?
The IUPAC name of (2S)-1-[4-(5-fluoro-2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one (CID 46215710) is (2S)-1-[4-(5-fluoro-2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one.
What is the SMILES notation for (2S)-1-[4-(5-fluoro-2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one?
The canonical SMILES for (2S)-1-[4-(5-fluoro-2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one is C[C@@](O)(C(=O)N1CCC(c2cc(F)c(O)cc2O)CC1)c1ccccc1.
What is the InChIKey of (2S)-1-[4-(5-fluoro-2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one?
The InChIKey is CEJLMMZEXGOYJH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-20(26,14-5-3-2-4-6-14)19(25)22-9-7-13(8-10-22)15-11-16(21)18(24)12-17(15)23/h2-6,11-13,23-24,26H,7-10H2,1H3/t20-/m0/s1.
What are the key properties of (2S)-1-[4-(5-fluoro-2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one?
(2S)-1-[4-(5-fluoro-2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one has a molecular weight of 359.40 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(5-fluoro-2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one is sourced from PubChem (CID 46215710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).