4-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-6-(trifluoromethyl)benzotriazole

C22H24F4N4O — CID 25160848

IUPAC4-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-6-(trifluoromethyl)benzotriazole
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc3c2nnn3C)(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H24F4N4O/c1-29-9-7-21(8-10-29,16-3-5-18(23)6-4-16)14-31-13-15-11-17(22(24,25)26)12-19-20(15)27-28-30(19)2/h3-6,11-12H,7-10,13-14H2,1-2H3
InChIKeyAINHFPYOOWJIAG-UHFFFAOYSA-N
MW436.45 g/mol
LogP4.31
Rot. Bonds5

About 4-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-6-(trifluoromethyl)benzotriazole

4-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-6-(trifluoromethyl)benzotriazole (PubChem CID 25160848) has the molecular formula C22H24F4N4O and a molecular weight of 436.45 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-6-(trifluoromethyl)benzotriazole.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-6-(trifluoromethyl)benzotriazole
PubChem CID25160848
Molecular FormulaC22H24F4N4O
Molecular Weight436.45 g/mol
Exact Mass436.19
IUPAC Name4-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-6-(trifluoromethyl)benzotriazole
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc3c2nnn3C)(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H24F4N4O/c1-29-9-7-21(8-10-29,16-3-5-18(23)6-4-16)14-31-13-15-11-17(22(24,25)26)12-19-20(15)27-28-30(19)2/h3-6,11-12H,7-10,13-14H2,1-2H3
InChIKeyAINHFPYOOWJIAG-UHFFFAOYSA-N
XLogP4.31
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-4-[[1-methyl-6-(trifluoromethyl)benzotriazol-4-yl]methoxymethyl]piperidine-1-carboxylic acid
CID 67404680
4-(4-fluorophenyl)-4-[[2-methyl-6-(trifluoromethyl)benzotriazol-4-yl]methoxymethyl]piperidine-1-carboxylic acid
CID 67402917
7-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-2-methyl-5-(trifluoromethyl)indazole
CID 25159787
2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
CID 24800056
5-chloro-2-ethyl-7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]indazole
CID 143744707
1-ethyl-4-[(1S)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole;1-ethyl-4-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole
CID 159061571
2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine
CID 68879357
[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)piperidin-1-yl]-methylborinic acid
CID 23570746
CID 89298820
CID 89298820
4-[[3-(3-fluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-1-methyl-4-phenylpiperidine
CID 58993583
7-bromo-5-[2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline
CID 68845464
1-(cyclopropylmethyl)-2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)benzimidazole
CID 25160969

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-6-(trifluoromethyl)benzotriazole?
The IUPAC name of 4-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-6-(trifluoromethyl)benzotriazole (CID 25160848) is 4-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-6-(trifluoromethyl)benzotriazole.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-6-(trifluoromethyl)benzotriazole?
The canonical SMILES for 4-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-6-(trifluoromethyl)benzotriazole is CN1CCC(COCc2cc(C(F)(F)F)cc3c2nnn3C)(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-6-(trifluoromethyl)benzotriazole?
The InChIKey is AINHFPYOOWJIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N4O/c1-29-9-7-21(8-10-29,16-3-5-18(23)6-4-16)14-31-13-15-11-17(22(24,25)26)12-19-20(15)27-28-30(19)2/h3-6,11-12H,7-10,13-14H2,1-2H3.
What are the key properties of 4-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-6-(trifluoromethyl)benzotriazole?
4-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-6-(trifluoromethyl)benzotriazole has a molecular weight of 436.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-6-(trifluoromethyl)benzotriazole is sourced from PubChem (CID 25160848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).