4-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid

C12H20F3NO3 — CID 63126190

IUPAC4-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CCOCC(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO3/c1-2-11(10(17)18)3-5-16(6-4-11)7-8-19-9-12(13,14)15/h2-9H2,1H3,(H,17,18)
InChIKeyRFSZEVSNMZXCRD-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.14
Rot. Bonds6

About 4-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid

4-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid (PubChem CID 63126190) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid
PubChem CID63126190
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name4-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CCOCC(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO3/c1-2-11(10(17)18)3-5-16(6-4-11)7-8-19-9-12(13,14)15/h2-9H2,1H3,(H,17,18)
InChIKeyRFSZEVSNMZXCRD-UHFFFAOYSA-N
XLogP2.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid (CID 63126190) is 4-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(CCOCC(F)(F)F)CC1.
What is the InChIKey of 4-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid?
The InChIKey is RFSZEVSNMZXCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-2-11(10(17)18)3-5-16(6-4-11)7-8-19-9-12(13,14)15/h2-9H2,1H3,(H,17,18).
What are the key properties of 4-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid?
4-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63126190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).