4-(4-fluorophenyl)-1-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol

C20H24FNO3 — CID 57045332

IUPAC4-(4-fluorophenyl)-1-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol
SMILESC[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FNO3/c1-14(19(24)15-2-8-18(23)9-3-15)22-12-10-20(25,11-13-22)16-4-6-17(21)7-5-16/h2-9,14,19,23-25H,10-13H2,1H3/t14-,19-/m1/s1
InChIKeyPXUTUTKDDLTXPU-AUUYWEPGSA-N
MW345.41 g/mol
LogP2.94
Rot. Bonds4

About 4-(4-fluorophenyl)-1-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol

4-(4-fluorophenyl)-1-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol (PubChem CID 57045332) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol
PubChem CID57045332
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name4-(4-fluorophenyl)-1-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol
SMILESC[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FNO3/c1-14(19(24)15-2-8-18(23)9-3-15)22-12-10-20(25,11-13-22)16-4-6-17(21)7-5-16/h2-9,14,19,23-25H,10-13H2,1H3/t14-,19-/m1/s1
InChIKeyPXUTUTKDDLTXPU-AUUYWEPGSA-N
XLogP2.94
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorophenyl)-1-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol with MolForge

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Related Compounds

1-[1-(3-fluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol
CID 73195170
4-(3,5-diiodophenyl)-1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol
CID 142950188
1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-phenylpyrrolidin-3-ol
CID 70057699
1-[1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
CID 21186599
1-[1-[3,5-dichloro-4-tri(propan-2-yl)silyloxyphenyl]-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol
CID 70235990
1-[(2R)-1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 67670710
1-[(1R,2R)-1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 54171505
4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol
CID 82263328
4-(4-fluorophenyl)-1-propan-2-ylazepan-4-ol
CID 65077824
1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(4-fluorophenyl)piperidin-4-ol
CID 72949866
4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol
CID 51501554
1-tert-butyl-4-(4-fluorophenyl)piperidin-4-ol
CID 58721778

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol?
The IUPAC name of 4-(4-fluorophenyl)-1-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol (CID 57045332) is 4-(4-fluorophenyl)-1-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol?
The canonical SMILES for 4-(4-fluorophenyl)-1-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol is C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol?
The InChIKey is PXUTUTKDDLTXPU-AUUYWEPGSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-14(19(24)15-2-8-18(23)9-3-15)22-12-10-20(25,11-13-22)16-4-6-17(21)7-5-16/h2-9,14,19,23-25H,10-13H2,1H3/t14-,19-/m1/s1.
What are the key properties of 4-(4-fluorophenyl)-1-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol?
4-(4-fluorophenyl)-1-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol has a molecular weight of 345.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol is sourced from PubChem (CID 57045332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).