1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carboxylic acid

C11H16F3NO4 — CID 66274746

IUPAC1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carboxylic acid
SMILESCC(OCC(=O)N1CCC(C(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C11H16F3NO4/c1-7(11(12,13)14)19-6-9(16)15-4-2-8(3-5-15)10(17)18/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyWVOAIUCMCPOUDC-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.28
Rot. Bonds4

About 1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carboxylic acid

1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carboxylic acid (PubChem CID 66274746) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carboxylic acid
PubChem CID66274746
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Name1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carboxylic acid
SMILESCC(OCC(=O)N1CCC(C(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C11H16F3NO4/c1-7(11(12,13)14)19-6-9(16)15-4-2-8(3-5-15)10(17)18/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyWVOAIUCMCPOUDC-UHFFFAOYSA-N
XLogP1.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate
CID 2162839
methyl (3S,4S)-1-(2-butan-2-yloxyacetyl)-3-methylpiperidine-4-carboxylate
CID 138036356
Butan-2-yl 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylate
CID 601868
4-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester, (S)-
CID 22217585
1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidine-4-carboxylic acid
CID 138595309
1-(3,3,3-Trifluoro-2-hydroxy-2-methylpropanoyl)piperidine-4-carboxylic acid
CID 138595310
1-[2-(2,2,2-Trifluoroethoxy)acetyl]piperidine-4-carboxylic acid
CID 62032767
1,1,1-Trifluoropropan-2-yl 1-(2-methylpropanoyl)piperidine-4-carboxylate
CID 71987388
1-[2-(2,2-Difluoroethoxy)acetyl]piperidine-4-carboxylic acid
CID 82004808
1-[2-(4,4,4-Trifluorobutoxy)acetyl]piperidine-4-carboxylic acid
CID 82788846
1-[2-(3,3,3-Trifluoropropoxy)acetyl]piperidine-4-carboxylic acid
CID 82956537
Ethyl 1-[2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-4-carboxylate
CID 86985429

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carboxylic acid (CID 66274746) is 1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carboxylic acid is CC(OCC(=O)N1CCC(C(=O)O)CC1)C(F)(F)F.
What is the InChIKey of 1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carboxylic acid?
The InChIKey is WVOAIUCMCPOUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4/c1-7(11(12,13)14)19-6-9(16)15-4-2-8(3-5-15)10(17)18/h7-8H,2-6H2,1H3,(H,17,18).
What are the key properties of 1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carboxylic acid?
1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carboxylic acid has a molecular weight of 283.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 66274746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).