3-[[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1-methylpiperidine

C17H24F3NO2 — CID 21184166

IUPAC3-[[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1-methylpiperidine
SMILESCc1cc(OCC(F)(F)F)cc(C)c1OCC1CCCN(C)C1
InChIInChI=1S/C17H24F3NO2/c1-12-7-15(23-11-17(18,19)20)8-13(2)16(12)22-10-14-5-4-6-21(3)9-14/h7-8,14H,4-6,9-11H2,1-3H3
InChIKeyLMAKMUOCQHCQFK-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.97
Rot. Bonds5

About 3-[[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1-methylpiperidine

3-[[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1-methylpiperidine (PubChem CID 21184166) has the molecular formula C17H24F3NO2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-[[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1-methylpiperidine.

Molecular Properties

Compound Name3-[[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1-methylpiperidine
PubChem CID21184166
Molecular FormulaC17H24F3NO2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name3-[[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1-methylpiperidine
SMILESCc1cc(OCC(F)(F)F)cc(C)c1OCC1CCCN(C)C1
InChIInChI=1S/C17H24F3NO2/c1-12-7-15(23-11-17(18,19)20)8-13(2)16(12)22-10-14-5-4-6-21(3)9-14/h7-8,14H,4-6,9-11H2,1-3H3
InChIKeyLMAKMUOCQHCQFK-UHFFFAOYSA-N
XLogP3.97
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-[2-[3,5-dimethyl-4-[(1-methylpiperidin-3-yl)methoxy]phenyl]ethyl]-2,6-dimethylphenoxy]methyl]-1-methylpiperidine
CID 10206804
4-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenol
CID 165429310
(3S)-3-[(3-iodophenoxy)methyl]-1-methylpiperidine
CID 165429240
(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332
2,3-dihydro-1,4-benzodioxine;(3S)-1-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidine;trifluoromethylbenzene
CID 142125090
7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076629
4-(cyclohexylmethoxy)-3,5-dimethylbenzoic acid
CID 43117999
1-(cyclohexylmethyl)-2-methyl-5-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]pyrrole
CID 141092287
1-cyclopropyl-3-methyl-5-(2,2,2-trifluoroethoxy)benzene
CID 176658555
(3S)-3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxamide
CID 95768258
5-(chloromethyl)-2-(cyclobutylmethoxy)-1,3-dimethylbenzene
CID 65460366
[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methanol
CID 65457601

Frequently Asked Questions

What is the IUPAC name of 3-[[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1-methylpiperidine?
The IUPAC name of 3-[[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1-methylpiperidine (CID 21184166) is 3-[[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1-methylpiperidine.
What is the SMILES notation for 3-[[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1-methylpiperidine?
The canonical SMILES for 3-[[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1-methylpiperidine is Cc1cc(OCC(F)(F)F)cc(C)c1OCC1CCCN(C)C1.
What is the InChIKey of 3-[[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1-methylpiperidine?
The InChIKey is LMAKMUOCQHCQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO2/c1-12-7-15(23-11-17(18,19)20)8-13(2)16(12)22-10-14-5-4-6-21(3)9-14/h7-8,14H,4-6,9-11H2,1-3H3.
What are the key properties of 3-[[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1-methylpiperidine?
3-[[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1-methylpiperidine has a molecular weight of 331.38 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1-methylpiperidine is sourced from PubChem (CID 21184166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).