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

C15H20F9NO2 — CID 169315147

IUPAC[1-[[4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]piperidin-1-yl]methyl]cyclopropyl]methanol
SMILESOCC1(CN2CCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC2)CC1
InChIInChI=1S/C15H20F9NO2/c16-13(17,18)12(14(19,20)21,15(22,23)24)27-7-10-1-5-25(6-2-10)8-11(9-26)3-4-11/h10,26H,1-9H2
InChIKeyNSIYBWUEONCKNH-UHFFFAOYSA-N
MW417.31 g/mol
LogP3.91
Rot. Bonds6

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

[1-[[4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]piperidin-1-yl]methyl]cyclopropyl]methanol (PubChem CID 169315147) has the molecular formula C15H20F9NO2 and a molecular weight of 417.31 g/mol. Its IUPAC name is [1-[[4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]piperidin-1-yl]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]piperidin-1-yl]methyl]cyclopropyl]methanol
PubChem CID169315147
Molecular FormulaC15H20F9NO2
Molecular Weight417.31 g/mol
Exact Mass417.14
IUPAC Name[1-[[4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]piperidin-1-yl]methyl]cyclopropyl]methanol
SMILESOCC1(CN2CCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC2)CC1
InChIInChI=1S/C15H20F9NO2/c16-13(17,18)12(14(19,20)21,15(22,23)24)27-7-10-1-5-25(6-2-10)8-11(9-26)3-4-11/h10,26H,1-9H2
InChIKeyNSIYBWUEONCKNH-UHFFFAOYSA-N
XLogP3.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]piperidin-1-yl]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]piperidin-1-yl]methyl]cyclopropyl]methanol (CID 169315147) is [1-[[4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]piperidin-1-yl]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]piperidin-1-yl]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]piperidin-1-yl]methyl]cyclopropyl]methanol is OCC1(CN2CCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC2)CC1.
What is the InChIKey of [1-[[4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]piperidin-1-yl]methyl]cyclopropyl]methanol?
The InChIKey is NSIYBWUEONCKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F9NO2/c16-13(17,18)12(14(19,20)21,15(22,23)24)27-7-10-1-5-25(6-2-10)8-11(9-26)3-4-11/h10,26H,1-9H2.
What are the key properties of [1-[[4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]piperidin-1-yl]methyl]cyclopropyl]methanol?
[1-[[4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]piperidin-1-yl]methyl]cyclopropyl]methanol has a molecular weight of 417.31 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]piperidin-1-yl]methyl]cyclopropyl]methanol is sourced from PubChem (CID 169315147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).