4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine

C16H22F9NO2 — CID 169254942

IUPAC4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine
SMILESCOCC1(CN2CCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H22F9NO2/c1-27-10-12(4-5-12)9-26-6-2-11(3-7-26)8-28-13(14(17,18)19,15(20,21)22)16(23,24)25/h11H,2-10H2,1H3
InChIKeyZBOLHSRFEUFNGJ-UHFFFAOYSA-N
MW431.34 g/mol
LogP4.57
Rot. Bonds7

About 4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine

4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine (PubChem CID 169254942) has the molecular formula C16H22F9NO2 and a molecular weight of 431.34 g/mol. Its IUPAC name is 4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine
PubChem CID169254942
Molecular FormulaC16H22F9NO2
Molecular Weight431.34 g/mol
Exact Mass431.15
IUPAC Name4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine
SMILESCOCC1(CN2CCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H22F9NO2/c1-27-10-12(4-5-12)9-26-6-2-11(3-7-26)8-28-13(14(17,18)19,15(20,21)22)16(23,24)25/h11H,2-10H2,1H3
InChIKeyZBOLHSRFEUFNGJ-UHFFFAOYSA-N
XLogP4.57
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,2-Difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine
CID 129290451
1-[1,2,2-Trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-4-(trifluoromethyl)piperidine
CID 130418388
1-[1,2-Difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-(trifluoromethyl)piperidine
CID 130418400
4-(2-Methylpentan-2-yloxymethyl)-1-(3,3,3-trifluoropropyl)piperidine
CID 135158582
3,3-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperidine;ethane
CID 169228774
3,3-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperidine
CID 169228775
1-[[1-(Methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 169254871
1-[[1-(Methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine
CID 169255870
[1-[[4-[[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]piperidin-1-yl]methyl]cyclopropyl]methanol
CID 169315147
[1-[[4-Methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methyl 2,2,2-trifluoroacetate
CID 170305441
1-[[1-(Propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine
CID 170343535
1-[[1-(Propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 170343538

Frequently Asked Questions

What is the IUPAC name of 4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine?
The IUPAC name of 4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine (CID 169254942) is 4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine.
What is the SMILES notation for 4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine?
The canonical SMILES for 4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine is COCC1(CN2CCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC2)CC1.
What is the InChIKey of 4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine?
The InChIKey is ZBOLHSRFEUFNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F9NO2/c1-27-10-12(4-5-12)9-26-6-2-11(3-7-26)8-28-13(14(17,18)19,15(20,21)22)16(23,24)25/h11H,2-10H2,1H3.
What are the key properties of 4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine?
4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine has a molecular weight of 431.34 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine is sourced from PubChem (CID 169254942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).