1-[2-[[4-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]amino]phenyl]ethanone

C22H25F3N2O2 — CID 144675541

IUPAC1-[2-[[4-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1NC1(C)CCN(Cc2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C22H25F3N2O2/c1-16(28)18-8-4-5-9-19(18)26-21(2)11-13-27(14-12-21)15-17-7-3-6-10-20(17)29-22(23,24)25/h3-10,26H,11-15H2,1-2H3
InChIKeyIPJDSAREZZQNKL-UHFFFAOYSA-N
MW406.45 g/mol
LogP5.25
Rot. Bonds6

About 1-[2-[[4-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]amino]phenyl]ethanone

1-[2-[[4-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]amino]phenyl]ethanone (PubChem CID 144675541) has the molecular formula C22H25F3N2O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 1-[2-[[4-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[[4-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]amino]phenyl]ethanone
PubChem CID144675541
Molecular FormulaC22H25F3N2O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name1-[2-[[4-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1NC1(C)CCN(Cc2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C22H25F3N2O2/c1-16(28)18-8-4-5-9-19(18)26-21(2)11-13-27(14-12-21)15-17-7-3-6-10-20(17)29-22(23,24)25/h3-10,26H,11-15H2,1-2H3
InChIKeyIPJDSAREZZQNKL-UHFFFAOYSA-N
XLogP5.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.45
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[1-[(2-chlorophenyl)methyl]-3-methylazetidin-3-yl]amino]phenyl]ethanone
CID 144675658
1-[4-amino-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-2-(4-propan-2-ylphenyl)ethanone;hydrochloride
CID 159041313
(3R,4S)-3-hydroxy-4-propyl-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxylic acid
CID 135110194
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 35427329
1-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanone
CID 16768650
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
4-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 65065655
3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63141242
1-[[2-(difluoromethoxy)phenyl]methyl]-N,4-dimethylpiperidin-4-amine
CID 115303878
1-[[2-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane
CID 61057074
2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide
CID 63573428
(3aS,6aR)-2-[[2-(trifluoromethoxy)phenyl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122045208

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[2-[[4-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]amino]phenyl]ethanone (CID 144675541) is 1-[2-[[4-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-[[4-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[2-[[4-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]amino]phenyl]ethanone is CC(=O)c1ccccc1NC1(C)CCN(Cc2ccccc2OC(F)(F)F)CC1.
What is the InChIKey of 1-[2-[[4-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]amino]phenyl]ethanone?
The InChIKey is IPJDSAREZZQNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O2/c1-16(28)18-8-4-5-9-19(18)26-21(2)11-13-27(14-12-21)15-17-7-3-6-10-20(17)29-22(23,24)25/h3-10,26H,11-15H2,1-2H3.
What are the key properties of 1-[2-[[4-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]amino]phenyl]ethanone?
1-[2-[[4-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]amino]phenyl]ethanone has a molecular weight of 406.45 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]amino]phenyl]ethanone is sourced from PubChem (CID 144675541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).