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

C14H16F3NO3 — CID 141155636

IUPAC4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccccc2OCC(F)(F)F)CC1
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)9-21-12-4-2-1-3-11(12)10-5-7-18(8-6-10)13(19)20/h1-4,10H,5-9H2,(H,19,20)
InChIKeyJMUYWDUJTVPLFD-UHFFFAOYSA-N
MW303.28 g/mol
LogP3.49
Rot. Bonds3

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

4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxylic acid (PubChem CID 141155636) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxylic acid
PubChem CID141155636
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccccc2OCC(F)(F)F)CC1
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)9-21-12-4-2-1-3-11(12)10-5-7-18(8-6-10)13(19)20/h1-4,10H,5-9H2,(H,19,20)
InChIKeyJMUYWDUJTVPLFD-UHFFFAOYSA-N
XLogP3.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxylic acid (CID 141155636) is 4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(c2ccccc2OCC(F)(F)F)CC1.
What is the InChIKey of 4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxylic acid?
The InChIKey is JMUYWDUJTVPLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c15-14(16,17)9-21-12-4-2-1-3-11(12)10-5-7-18(8-6-10)13(19)20/h1-4,10H,5-9H2,(H,19,20).
What are the key properties of 4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxylic acid?
4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxylic acid has a molecular weight of 303.28 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 141155636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).