1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidine-4-carboxylic acid

C10H14F3NO4 — CID 138595310

IUPAC1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidine-4-carboxylic acid
SMILESCC(O)(C(=O)N1CCC(C(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C10H14F3NO4/c1-9(18,10(11,12)13)8(17)14-4-2-6(3-5-14)7(15)16/h6,18H,2-5H2,1H3,(H,15,16)
InChIKeyHKADCEWREAPAPF-UHFFFAOYSA-N
MW269.22 g/mol
LogP0.62
Rot. Bonds2

About 1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidine-4-carboxylic acid

1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidine-4-carboxylic acid (PubChem CID 138595310) has the molecular formula C10H14F3NO4 and a molecular weight of 269.22 g/mol. Its IUPAC name is 1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidine-4-carboxylic acid
PubChem CID138595310
Molecular FormulaC10H14F3NO4
Molecular Weight269.22 g/mol
Exact Mass269.09
IUPAC Name1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidine-4-carboxylic acid
SMILESCC(O)(C(=O)N1CCC(C(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C10H14F3NO4/c1-9(18,10(11,12)13)8(17)14-4-2-6(3-5-14)7(15)16/h6,18H,2-5H2,1H3,(H,15,16)
InChIKeyHKADCEWREAPAPF-UHFFFAOYSA-N
XLogP0.62
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidine-4-carboxylic acid (CID 138595310) is 1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidine-4-carboxylic acid is CC(O)(C(=O)N1CCC(C(=O)O)CC1)C(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidine-4-carboxylic acid?
The InChIKey is HKADCEWREAPAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO4/c1-9(18,10(11,12)13)8(17)14-4-2-6(3-5-14)7(15)16/h6,18H,2-5H2,1H3,(H,15,16).
What are the key properties of 1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidine-4-carboxylic acid?
1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidine-4-carboxylic acid has a molecular weight of 269.22 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 138595310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).