4-[[3-fluoro-4-(3-fluorophenyl)phenoxy]methyl]-1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidine

C24H26F5NO — CID 141382172

IUPAC4-[[3-fluoro-4-(3-fluorophenyl)phenoxy]methyl]-1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidine
SMILESFc1cccc(-c2ccc(OCC3CCN(CC4(C(F)(F)F)CCC4)CC3)cc2F)c1
InChIInChI=1S/C24H26F5NO/c25-19-4-1-3-18(13-19)21-6-5-20(14-22(21)26)31-15-17-7-11-30(12-8-17)16-23(9-2-10-23)24(27,28)29/h1,3-6,13-14,17H,2,7-12,15-16H2
InChIKeyOQXDXQPUGKSYAX-UHFFFAOYSA-N
MW439.47 g/mol
LogP6.46
Rot. Bonds6

About 4-[[3-fluoro-4-(3-fluorophenyl)phenoxy]methyl]-1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidine

4-[[3-fluoro-4-(3-fluorophenyl)phenoxy]methyl]-1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidine (PubChem CID 141382172) has the molecular formula C24H26F5NO and a molecular weight of 439.47 g/mol. Its IUPAC name is 4-[[3-fluoro-4-(3-fluorophenyl)phenoxy]methyl]-1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[3-fluoro-4-(3-fluorophenyl)phenoxy]methyl]-1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidine
PubChem CID141382172
Molecular FormulaC24H26F5NO
Molecular Weight439.47 g/mol
Exact Mass439.19
IUPAC Name4-[[3-fluoro-4-(3-fluorophenyl)phenoxy]methyl]-1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidine
SMILESFc1cccc(-c2ccc(OCC3CCN(CC4(C(F)(F)F)CCC4)CC3)cc2F)c1
InChIInChI=1S/C24H26F5NO/c25-19-4-1-3-18(13-19)21-6-5-20(14-22(21)26)31-15-17-7-11-30(12-8-17)16-23(9-2-10-23)24(27,28)29/h1,3-6,13-14,17H,2,7-12,15-16H2
InChIKeyOQXDXQPUGKSYAX-UHFFFAOYSA-N
XLogP6.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.47
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-fluoro-4-[4-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]phenyl]benzoate
CID 90018128
(2S)-1-[2-fluoro-6-[2-fluoro-4-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]phenyl]benzoyl]pyrrolidine-2-carboxamide
CID 118125915
2-fluoro-4-[4-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]phenyl]benzoic acid
CID 90018213
5-bromo-2-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]pyrimidine;3-fluoro-4-[2-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]pyrimidin-5-yl]benzoic acid
CID 90017555
[3-fluoro-4-[2-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]pyrimidin-5-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 141382293
methyl 3-fluoro-4-[5-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]-2-pyridinyl]benzoate
CID 118109656
[3-fluoro-4-[6-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]-3-pyridinyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 90018474
[3-fluoro-4-[3-fluoro-4-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 90018249
2-(2-fluorophenyl)-5-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]pyrazine
CID 141382213
1-[1-[2-fluoro-4-[4-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]phenyl]phenyl]ethenyl]-3-methylpiperidine
CID 146229037
[2-fluoro-4-[4-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 90017586
1-[3-fluoro-4-[6-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]-3-pyridinyl]benzoyl]-2-methylpyrrolidine-2-carboxamide
CID 118109742

Frequently Asked Questions

What is the IUPAC name of 4-[[3-fluoro-4-(3-fluorophenyl)phenoxy]methyl]-1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidine?
The IUPAC name of 4-[[3-fluoro-4-(3-fluorophenyl)phenoxy]methyl]-1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidine (CID 141382172) is 4-[[3-fluoro-4-(3-fluorophenyl)phenoxy]methyl]-1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidine.
What is the SMILES notation for 4-[[3-fluoro-4-(3-fluorophenyl)phenoxy]methyl]-1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidine?
The canonical SMILES for 4-[[3-fluoro-4-(3-fluorophenyl)phenoxy]methyl]-1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidine is Fc1cccc(-c2ccc(OCC3CCN(CC4(C(F)(F)F)CCC4)CC3)cc2F)c1.
What is the InChIKey of 4-[[3-fluoro-4-(3-fluorophenyl)phenoxy]methyl]-1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidine?
The InChIKey is OQXDXQPUGKSYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F5NO/c25-19-4-1-3-18(13-19)21-6-5-20(14-22(21)26)31-15-17-7-11-30(12-8-17)16-23(9-2-10-23)24(27,28)29/h1,3-6,13-14,17H,2,7-12,15-16H2.
What are the key properties of 4-[[3-fluoro-4-(3-fluorophenyl)phenoxy]methyl]-1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidine?
4-[[3-fluoro-4-(3-fluorophenyl)phenoxy]methyl]-1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidine has a molecular weight of 439.47 g/mol, XLogP of 6.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-fluoro-4-(3-fluorophenyl)phenoxy]methyl]-1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidine is sourced from PubChem (CID 141382172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).