[4-hydroxy-4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone

C28H25F3N2O3 — CID 141414978

IUPAC[4-hydroxy-4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone
SMILESO=C(c1ccc(N2CC=Cc3ccccc32)cc1)N1CCC(O)(c2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C28H25F3N2O3/c29-28(30,31)36-25-10-4-2-8-23(25)27(35)15-18-32(19-16-27)26(34)21-11-13-22(14-12-21)33-17-5-7-20-6-1-3-9-24(20)33/h1-14,35H,15-19H2
InChIKeyFRKRHUXAUQZTEI-UHFFFAOYSA-N
MW494.51 g/mol
LogP5.87
Rot. Bonds4

About [4-hydroxy-4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone

[4-hydroxy-4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone (PubChem CID 141414978) has the molecular formula C28H25F3N2O3 and a molecular weight of 494.51 g/mol. Its IUPAC name is [4-hydroxy-4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-hydroxy-4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone
PubChem CID141414978
Molecular FormulaC28H25F3N2O3
Molecular Weight494.51 g/mol
Exact Mass494.18
IUPAC Name[4-hydroxy-4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone
SMILESO=C(c1ccc(N2CC=Cc3ccccc32)cc1)N1CCC(O)(c2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C28H25F3N2O3/c29-28(30,31)36-25-10-4-2-8-23(25)27(35)15-18-32(19-16-27)26(34)21-11-13-22(14-12-21)33-17-5-7-20-6-1-3-9-24(20)33/h1-14,35H,15-19H2
InChIKeyFRKRHUXAUQZTEI-UHFFFAOYSA-N
XLogP5.87
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.51
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-hydroxy-4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone with MolForge

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Related Compounds

[4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone
CID 141414922
[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[4-(2H-quinolin-1-yl)-3-(trifluoromethoxy)phenyl]methanone
CID 141352183
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-(2-fluoro-2H-quinolin-1-yl)phenyl]methanone
CID 90418988
3-phenyl-1-[4-[4-(2H-quinolin-1-yl)benzoyl]-1,4-diazepan-1-yl]propan-1-one
CID 141286592
tert-butyl 4-hydroxy-4-[2-(trifluoromethoxy)phenyl]azepane-1-carboxylate
CID 90061321
1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 55115980
1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol
CID 62789057
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone
CID 174762267
[4-[2-fluoro-3-(trifluoromethoxy)phenyl]phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 86274127
(4-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 80701731
[4-(3,3-difluoropropyl)-4-hydroxypiperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone;21,24-dihydroporphyrin-5-sulfonamide
CID 162622562
[4-(2-methoxypyridine-4-carbonyl)piperazin-1-yl]-[3-methoxy-4-(2H-quinolin-1-yl)phenyl]methanone
CID 141286684

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone?
The IUPAC name of [4-hydroxy-4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone (CID 141414978) is [4-hydroxy-4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone.
What is the SMILES notation for [4-hydroxy-4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone?
The canonical SMILES for [4-hydroxy-4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone is O=C(c1ccc(N2CC=Cc3ccccc32)cc1)N1CCC(O)(c2ccccc2OC(F)(F)F)CC1.
What is the InChIKey of [4-hydroxy-4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone?
The InChIKey is FRKRHUXAUQZTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N2O3/c29-28(30,31)36-25-10-4-2-8-23(25)27(35)15-18-32(19-16-27)26(34)21-11-13-22(14-12-21)33-17-5-7-20-6-1-3-9-24(20)33/h1-14,35H,15-19H2.
What are the key properties of [4-hydroxy-4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone?
[4-hydroxy-4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone has a molecular weight of 494.51 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone is sourced from PubChem (CID 141414978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).