[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone

C17H18F3N3O2 — CID 70767483

IUPAC[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
SMILESCc1[nH]cnc1C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H18F3N3O2/c1-11-14(22-10-21-11)15(24)23-7-5-16(25,6-8-23)12-3-2-4-13(9-12)17(18,19)20/h2-4,9-10,25H,5-8H2,1H3,(H,21,22)
InChIKeyPHEQUPWOBOPDKP-UHFFFAOYSA-N
MW353.34 g/mol
LogP2.86
Rot. Bonds2

About [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone

[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone (PubChem CID 70767483) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
PubChem CID70767483
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
SMILESCc1[nH]cnc1C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H18F3N3O2/c1-11-14(22-10-21-11)15(24)23-7-5-16(25,6-8-23)12-3-2-4-13(9-12)17(18,19)20/h2-4,9-10,25H,5-8H2,1H3,(H,21,22)
InChIKeyPHEQUPWOBOPDKP-UHFFFAOYSA-N
XLogP2.86
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 56898774
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 56904857
(2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 56912424
(1-ethylpyrazol-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 56910663
(2R)-2-hydroxy-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-methylbutan-1-one
CID 95873840
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide
CID 171929292
5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 131943491
(6-chloro-1H-indol-3-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 59429659
(2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 95897796
1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanone
CID 172890602
1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 55116078
[(2R)-1,4-dioxan-2-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 95893815

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone?
The IUPAC name of [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone (CID 70767483) is [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone.
What is the SMILES notation for [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone?
The canonical SMILES for [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone is Cc1[nH]cnc1C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone?
The InChIKey is PHEQUPWOBOPDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-11-14(22-10-21-11)15(24)23-7-5-16(25,6-8-23)12-3-2-4-13(9-12)17(18,19)20/h2-4,9-10,25H,5-8H2,1H3,(H,21,22).
What are the key properties of [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone?
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone has a molecular weight of 353.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone is sourced from PubChem (CID 70767483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).