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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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).