[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

C21H21F4NO3 — CID 71784887

IUPAC[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCC(COCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H21F4NO3/c22-18-5-1-15(2-6-18)13-28-14-16-9-11-26(12-10-16)20(27)17-3-7-19(8-4-17)29-21(23,24)25/h1-8,16H,9-14H2
InChIKeyUBLREILFIZWUKY-UHFFFAOYSA-N
MW411.40 g/mol
LogP4.79
Rot. Bonds6

About [4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 71784887) has the molecular formula C21H21F4NO3 and a molecular weight of 411.40 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID71784887
Molecular FormulaC21H21F4NO3
Molecular Weight411.40 g/mol
Exact Mass411.15
IUPAC Name[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCC(COCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H21F4NO3/c22-18-5-1-15(2-6-18)13-28-14-16-9-11-26(12-10-16)20(27)17-3-7-19(8-4-17)29-21(23,24)25/h1-8,16H,9-14H2
InChIKeyUBLREILFIZWUKY-UHFFFAOYSA-N
XLogP4.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.40
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 119545556
4-[(4-fluorophenyl)methoxymethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 71784917
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110639067
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 124592579
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 87029924
2-(4-fluorophenoxy)-1-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150393
4-[[4-(trifluoromethoxy)phenoxy]methyl]piperidine-1-carboxylic acid
CID 139832833
[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 71784802
[4-(3-fluorobenzoyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 32522141
(4-fluorophenyl)-[1-[3-(trifluoromethoxy)benzoyl]piperidin-4-yl]methanone
CID 10046202
(3,4-dihydroxypyrrolidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 106671585
[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 97038831

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (CID 71784887) is [4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(COCc2ccc(F)cc2)CC1.
What is the InChIKey of [4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is UBLREILFIZWUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F4NO3/c22-18-5-1-15(2-6-18)13-28-14-16-9-11-26(12-10-16)20(27)17-3-7-19(8-4-17)29-21(23,24)25/h1-8,16H,9-14H2.
What are the key properties of [4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 411.40 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 71784887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).