1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one

C12H20F3NO3 — CID 75392726

IUPAC1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one
SMILESCC(C)OCCC(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO3/c1-9(2)19-8-3-10(17)16-6-4-11(18,5-7-16)12(13,14)15/h9,18H,3-8H2,1-2H3
InChIKeyYNUGBUATIVKPLV-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.72
Rot. Bonds4

About 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one

1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one (PubChem CID 75392726) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one.

Molecular Properties

Compound Name1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one
PubChem CID75392726
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one
SMILESCC(C)OCCC(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO3/c1-9(2)19-8-3-10(17)16-6-4-11(18,5-7-16)12(13,14)15/h9,18H,3-8H2,1-2H3
InChIKeyYNUGBUATIVKPLV-UHFFFAOYSA-N
XLogP1.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one?
The IUPAC name of 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one (CID 75392726) is 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one.
What is the SMILES notation for 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one?
The canonical SMILES for 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one is CC(C)OCCC(=O)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one?
The InChIKey is YNUGBUATIVKPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-9(2)19-8-3-10(17)16-6-4-11(18,5-7-16)12(13,14)15/h9,18H,3-8H2,1-2H3.
What are the key properties of 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one?
1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one has a molecular weight of 283.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one is sourced from PubChem (CID 75392726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).