4-(2-fluorophenyl)-1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-ol

C20H24FNO3 — CID 51501596

IUPAC4-(2-fluorophenyl)-1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-ol
SMILESCOc1cccc([C@H](O)CN2CCC(O)(c3ccccc3F)CC2)c1
InChIInChI=1S/C20H24FNO3/c1-25-16-6-4-5-15(13-16)19(23)14-22-11-9-20(24,10-12-22)17-7-2-3-8-18(17)21/h2-8,13,19,23-24H,9-12,14H2,1H3/t19-/m1/s1
InChIKeyWVACHMKWBZWKJU-LJQANCHMSA-N
MW345.41 g/mol
LogP2.85
Rot. Bonds5

About 4-(2-fluorophenyl)-1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-ol

4-(2-fluorophenyl)-1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-ol (PubChem CID 51501596) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-ol
PubChem CID51501596
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name4-(2-fluorophenyl)-1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-ol
SMILESCOc1cccc([C@H](O)CN2CCC(O)(c3ccccc3F)CC2)c1
InChIInChI=1S/C20H24FNO3/c1-25-16-6-4-5-15(13-16)19(23)14-22-11-9-20(24,10-12-22)17-7-2-3-8-18(17)21/h2-8,13,19,23-24H,9-12,14H2,1H3/t19-/m1/s1
InChIKeyWVACHMKWBZWKJU-LJQANCHMSA-N
XLogP2.85
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol
CID 51503051
1-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51501610
2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol
CID 62231335
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 112706792
N-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-phenylpiperidin-4-yl]acetamide
CID 110221442
2-(4-hydroxyiminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 81134999
2-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 111381841
4-(2-fluorophenyl)-1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]piperidin-4-ol
CID 46953602
1-[4-[(1S)-2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]phenyl]pyrrolidin-2-one
CID 51501316
4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol
CID 51501554
2-[4-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
CID 15592159
1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol
CID 103536862

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-ol?
The IUPAC name of 4-(2-fluorophenyl)-1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-ol (CID 51501596) is 4-(2-fluorophenyl)-1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-ol.
What is the SMILES notation for 4-(2-fluorophenyl)-1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-ol?
The canonical SMILES for 4-(2-fluorophenyl)-1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-ol is COc1cccc([C@H](O)CN2CCC(O)(c3ccccc3F)CC2)c1.
What is the InChIKey of 4-(2-fluorophenyl)-1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-ol?
The InChIKey is WVACHMKWBZWKJU-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-25-16-6-4-5-15(13-16)19(23)14-22-11-9-20(24,10-12-22)17-7-2-3-8-18(17)21/h2-8,13,19,23-24H,9-12,14H2,1H3/t19-/m1/s1.
What are the key properties of 4-(2-fluorophenyl)-1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-ol?
4-(2-fluorophenyl)-1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-ol has a molecular weight of 345.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-ol is sourced from PubChem (CID 51501596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).