[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate

C12H20F3NO3 — CID 177248989

IUPAC[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(CO)(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO3/c1-10(2,3)9(18)19-16-6-4-11(8-17,5-7-16)12(13,14)15/h17H,4-8H2,1-3H3
InChIKeyWIXSVODLZHTZLX-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.13
Rot. Bonds2

About [4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate

[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 177248989) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is [4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID177248989
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(CO)(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO3/c1-10(2,3)9(18)19-16-6-4-11(8-17,5-7-16)12(13,14)15/h17H,4-8H2,1-3H3
InChIKeyWIXSVODLZHTZLX-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate (CID 177248989) is [4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(CO)(C(F)(F)F)CC1.
What is the InChIKey of [4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is WIXSVODLZHTZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-10(2,3)9(18)19-16-6-4-11(8-17,5-7-16)12(13,14)15/h17H,4-8H2,1-3H3.
What are the key properties of [4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate?
[4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 283.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 177248989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).