[4-[(3-fluorophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanol

C21H24FNO3S — CID 25367608

IUPAC[4-[(3-fluorophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanol
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCC(CO)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C21H24FNO3S/c22-20-8-4-7-19(15-20)16-21(17-24)10-12-23(13-11-21)27(25,26)14-9-18-5-2-1-3-6-18/h1-9,14-15,24H,10-13,16-17H2/b14-9+
InChIKeyJZVGICHZUTVHFE-NTEUORMPSA-N
MW389.49 g/mol
LogP3.44
Rot. Bonds6

About [4-[(3-fluorophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanol

[4-[(3-fluorophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanol (PubChem CID 25367608) has the molecular formula C21H24FNO3S and a molecular weight of 389.49 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanol
PubChem CID25367608
Molecular FormulaC21H24FNO3S
Molecular Weight389.49 g/mol
Exact Mass389.15
IUPAC Name[4-[(3-fluorophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanol
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCC(CO)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C21H24FNO3S/c22-20-8-4-7-19(15-20)16-21(17-24)10-12-23(13-11-21)27(25,26)14-9-18-5-2-1-3-6-18/h1-9,14-15,24H,10-13,16-17H2/b14-9+
InChIKeyJZVGICHZUTVHFE-NTEUORMPSA-N
XLogP3.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-methoxyphenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanol
CID 26327587
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 91941986
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
(2R)-N-(3-fluorophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanamide
CID 9493373
N-(2,5-difluorophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 6214863
[4-[(3-fluorophenyl)methyl]-1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methanol
CID 56751113
[4-[[3-(trifluoromethyl)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol
CID 26322907
[4-[(3-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methanol
CID 56754356
6-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 56743972
N-(2,4-difluorophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]acetamide
CID 2655979
[5-[(E)-2-phenylethenyl]sulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
CID 91790425
2-(2-fluorophenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone
CID 2579941

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanol?
The IUPAC name of [4-[(3-fluorophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanol (CID 25367608) is [4-[(3-fluorophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanol.
What is the SMILES notation for [4-[(3-fluorophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanol?
The canonical SMILES for [4-[(3-fluorophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanol is O=S(=O)(/C=C/c1ccccc1)N1CCC(CO)(Cc2cccc(F)c2)CC1.
What is the InChIKey of [4-[(3-fluorophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanol?
The InChIKey is JZVGICHZUTVHFE-NTEUORMPSA-N. The full InChI is InChI=1S/C21H24FNO3S/c22-20-8-4-7-19(15-20)16-21(17-24)10-12-23(13-11-21)27(25,26)14-9-18-5-2-1-3-6-18/h1-9,14-15,24H,10-13,16-17H2/b14-9+.
What are the key properties of [4-[(3-fluorophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanol?
[4-[(3-fluorophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanol has a molecular weight of 389.49 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanol is sourced from PubChem (CID 25367608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).