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

C11H16F3NO3 — CID 174903722

IUPAC1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidine-4-carboxylic acid
SMILESCC(C)(C(=O)N1CCC(C(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C11H16F3NO3/c1-10(2,11(12,13)14)9(18)15-5-3-7(4-6-15)8(16)17/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeySLWRBIUDXFOAQE-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.90
Rot. Bonds2

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

1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidine-4-carboxylic acid (PubChem CID 174903722) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidine-4-carboxylic acid
PubChem CID174903722
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidine-4-carboxylic acid
SMILESCC(C)(C(=O)N1CCC(C(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C11H16F3NO3/c1-10(2,11(12,13)14)9(18)15-5-3-7(4-6-15)8(16)17/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeySLWRBIUDXFOAQE-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Acetylpiperidine-4-carboxylic acid
CID 117255
1-Propionyl-4-piperidinecarboxylic acid
CID 685155
1-(3-Methylbutanoyl)-4-piperidinecarboxylic acid
CID 16769238
1-(2-Methylpropanoyl)piperidine-4-carboxylic acid
CID 16770959
1-((Tert-butoxy)carbonyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid
CID 17983139
1-Acetyl-4-methylpiperidine-4-carboxylic acid
CID 19361808
1-Boc-3,3-difluoropiperidin-4-carboxylic acid
CID 72207303
1-((Tert-butoxy)carbonyl)-4-(difluoromethyl)piperidine-4-carboxylic acid
CID 84811550
1-(2,2-Difluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 91647610
1-(2,2,2-Trifluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 91663079
1-(Carbonofluoridoyl)piperidine-4-carboxylic acid
CID 143488886
1-[4-[Acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylic acid
CID 14896511

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidine-4-carboxylic acid (CID 174903722) is 1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidine-4-carboxylic acid is CC(C)(C(=O)N1CCC(C(=O)O)CC1)C(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidine-4-carboxylic acid?
The InChIKey is SLWRBIUDXFOAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-10(2,11(12,13)14)9(18)15-5-3-7(4-6-15)8(16)17/h7H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidine-4-carboxylic acid?
1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidine-4-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 174903722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).