1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol

C19H20F3NO2 — CID 51503051

IUPAC1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol
SMILESO[C@H](CN1CCC(O)(c2ccccc2F)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H20F3NO2/c20-15-4-2-1-3-14(15)19(25)7-9-23(10-8-19)12-18(24)13-5-6-16(21)17(22)11-13/h1-6,11,18,24-25H,7-10,12H2/t18-/m1/s1
InChIKeyHWEBRXGFULNVDY-GOSISDBHSA-N
MW351.37 g/mol
LogP3.12
Rot. Bonds4

About 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol

1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol (PubChem CID 51503051) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol
PubChem CID51503051
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol
SMILESO[C@H](CN1CCC(O)(c2ccccc2F)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H20F3NO2/c20-15-4-2-1-3-14(15)19(25)7-9-23(10-8-19)12-18(24)13-5-6-16(21)17(22)11-13/h1-6,11,18,24-25H,7-10,12H2/t18-/m1/s1
InChIKeyHWEBRXGFULNVDY-GOSISDBHSA-N
XLogP3.12
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluorophenyl)-1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 51501596
1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol
CID 51503053
1-[4-[(1S)-2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]phenyl]pyrrolidin-2-one
CID 51501316
4-(2-fluorophenyl)-1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]piperidin-4-ol
CID 46953602
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-4-(2-methylphenyl)piperidin-4-ol
CID 16673267
(2R)-1-[4-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95309106
4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol
CID 18552686
4-(4-chlorophenyl)-1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol
CID 849886
4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-ol
CID 51501654
1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]propan-2-one
CID 3228845
1-(3,4-difluorophenyl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanol
CID 110899957
4-(4-fluorophenyl)-1-[(2S)-2-hydroxy-2-(4-phenylphenyl)ethyl]piperidin-4-ol
CID 51501336

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol?
The IUPAC name of 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol (CID 51503051) is 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol is O[C@H](CN1CCC(O)(c2ccccc2F)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol?
The InChIKey is HWEBRXGFULNVDY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20F3NO2/c20-15-4-2-1-3-14(15)19(25)7-9-23(10-8-19)12-18(24)13-5-6-16(21)17(22)11-13/h1-6,11,18,24-25H,7-10,12H2/t18-/m1/s1.
What are the key properties of 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol?
1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol has a molecular weight of 351.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 51503051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).