1-[1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol

C20H23F2NO3 — CID 21186599

IUPAC1-[1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
SMILESCC(C(O)c1cc(F)c(O)c(F)c1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C20H23F2NO3/c1-13(18(24)14-11-16(21)19(25)17(22)12-14)23-9-7-20(26,8-10-23)15-5-3-2-4-6-15/h2-6,11-13,18,24-26H,7-10H2,1H3
InChIKeyQTNJOWUDVKMQOD-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.08
Rot. Bonds4

About 1-[1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol

1-[1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol (PubChem CID 21186599) has the molecular formula C20H23F2NO3 and a molecular weight of 363.40 g/mol. Its IUPAC name is 1-[1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-[1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
PubChem CID21186599
Molecular FormulaC20H23F2NO3
Molecular Weight363.40 g/mol
Exact Mass363.16
IUPAC Name1-[1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
SMILESCC(C(O)c1cc(F)c(O)c(F)c1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C20H23F2NO3/c1-13(18(24)14-11-16(21)19(25)17(22)12-14)23-9-7-20(26,8-10-23)15-5-3-2-4-6-15/h2-6,11-13,18,24-26H,7-10H2,1H3
InChIKeyQTNJOWUDVKMQOD-UHFFFAOYSA-N
XLogP3.08
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-[1-(3-fluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol
CID 73195170
1-[1-(3,5-difluoro-4-phenylmethoxyphenyl)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 70236000
1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-phenylpyrrolidin-3-ol
CID 70057699
4-(4-fluorophenyl)-1-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol
CID 57045332
4-(3,5-diiodophenyl)-1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol
CID 142950188
1-[1-[3,5-dichloro-4-tri(propan-2-yl)silyloxyphenyl]-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol
CID 70235990
1-[1-[amino(methyl)amino]ethyl]-4-phenylpiperidin-4-ol
CID 57010939
1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-phenylpiperidin-4-ol
CID 72949869
[4-[1-hydroxy-2-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]phenyl] 3-(3-aminopentan-3-yl)benzoate
CID 67712712
(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 11830572

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol?
The IUPAC name of 1-[1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol (CID 21186599) is 1-[1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-[1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-[1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol is CC(C(O)c1cc(F)c(O)c(F)c1)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 1-[1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol?
The InChIKey is QTNJOWUDVKMQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO3/c1-13(18(24)14-11-16(21)19(25)17(22)12-14)23-9-7-20(26,8-10-23)15-5-3-2-4-6-15/h2-6,11-13,18,24-26H,7-10H2,1H3.
What are the key properties of 1-[1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol?
1-[1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol has a molecular weight of 363.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 21186599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).