[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C22H20F4N4O2 — CID 42286913

IUPAC[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2F)nn1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H20F4N4O2/c23-18-7-2-1-4-15(18)13-30-14-19(27-28-30)20(31)29-10-8-21(32,9-11-29)16-5-3-6-17(12-16)22(24,25)26/h1-7,12,14,32H,8-11,13H2
InChIKeyZFLXNDXUVHFIQH-UHFFFAOYSA-N
MW448.42 g/mol
LogP3.61
Rot. Bonds4

About [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 42286913) has the molecular formula C22H20F4N4O2 and a molecular weight of 448.42 g/mol. Its IUPAC name is [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID42286913
Molecular FormulaC22H20F4N4O2
Molecular Weight448.42 g/mol
Exact Mass448.15
IUPAC Name[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2F)nn1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H20F4N4O2/c23-18-7-2-1-4-15(18)13-30-14-19(27-28-30)20(31)29-10-8-21(32,9-11-29)16-5-3-6-17(12-16)22(24,25)26/h1-7,12,14,32H,8-11,13H2
InChIKeyZFLXNDXUVHFIQH-UHFFFAOYSA-N
XLogP3.61
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-phenyltriazole-4-carboxamide
CID 164611131
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1-phenyltriazole-4-carboxamide
CID 164623002
1-(diphenylmethyl)-N-(2-hydroxy-2-phenylethyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
CID 45187221
1-{[1-(2-phenylethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-4-[3-(trifluoromethyl)phenyl]-4-piperidinol
CID 25375433
1-(3-fluorobenzyl)-4-({1-[3-(trifluoromethyl)benzyl]-1H-1,2,3-triazol-4-yl}carbonyl)piperazine
CID 25379726
1-(3,5-dimethylbenzyl)-4-{[1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl]carbonyl}-2-piperazinone
CID 42151876
2-(4-fluorophenyl)-1-({1-[(2E)-3-phenyl-2-propen-1-yl]-1H-1,2,3-triazol-4-yl}carbonyl)piperidine
CID 45185317
1-(2-hydroxy-2-phenylethyl)-N-(3-(trifluoromethyl)benzyl)-1H-1,2,3-triazole-4-carboxamide
CID 71791920
N-[(S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-methyl-1H-1,2,3-triazole-4-carboxamide
CID 99873773
N-[2-(1-cyclohexen-1-yl)ethyl]-1-[(R)-2-(o-fluorophenyl)-2-hydroxyethyl]-1H-1,2,3-triazole-4-carboxamide
CID 99979106
N-benzyl-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyltriazole-4-carboxamide
CID 58673121
1-(2-fluorophenyl)-N-[2-[4-[[5-fluoro-2-(trifluoromethyl)phenyl]-hydroxymethyl]piperazin-1-yl]-2-oxoethyl]triazole-4-carboxamide
CID 91471687

Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 42286913) is [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is O=C(c1cn(Cc2ccccc2F)nn1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is ZFLXNDXUVHFIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4O2/c23-18-7-2-1-4-15(18)13-30-14-19(27-28-30)20(31)29-10-8-21(32,9-11-29)16-5-3-6-17(12-16)22(24,25)26/h1-7,12,14,32H,8-11,13H2.
What are the key properties of [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 448.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 42286913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).