1-(4-fluorophenyl)-4-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one

C22H23F4NO2 — CID 45006130

IUPAC1-(4-fluorophenyl)-4-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
SMILESO=C(CCCN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H23F4NO2/c23-19-9-3-16(4-10-19)20(28)2-1-13-27-14-11-21(29,12-15-27)17-5-7-18(8-6-17)22(24,25)26/h3-10,29H,1-2,11-15H2
InChIKeyFUGGMNXTBZFFDM-UHFFFAOYSA-N
MW409.42 g/mol
LogP4.79
Rot. Bonds6

About 1-(4-fluorophenyl)-4-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one

1-(4-fluorophenyl)-4-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one (PubChem CID 45006130) has the molecular formula C22H23F4NO2 and a molecular weight of 409.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
PubChem CID45006130
Molecular FormulaC22H23F4NO2
Molecular Weight409.42 g/mol
Exact Mass409.17
IUPAC Name1-(4-fluorophenyl)-4-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
SMILESO=C(CCCN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H23F4NO2/c23-19-9-3-16(4-10-19)20(28)2-1-13-27-14-11-21(29,12-15-27)17-5-7-18(8-6-17)22(24,25)26/h3-10,29H,1-2,11-15H2
InChIKeyFUGGMNXTBZFFDM-UHFFFAOYSA-N
XLogP4.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one (CID 45006130) is 1-(4-fluorophenyl)-4-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one is O=C(CCCN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one?
The InChIKey is FUGGMNXTBZFFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4NO2/c23-19-9-3-16(4-10-19)20(28)2-1-13-27-14-11-21(29,12-15-27)17-5-7-18(8-6-17)22(24,25)26/h3-10,29H,1-2,11-15H2.
What are the key properties of 1-(4-fluorophenyl)-4-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one?
1-(4-fluorophenyl)-4-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one has a molecular weight of 409.42 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 45006130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).