tert-butyl 4-[2-(trifluoromethyl)anilino]piperidine-1-carboxylate

C17H23F3N2O2 — CID 66591750

IUPACtert-butyl 4-[2-(trifluoromethyl)anilino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H23F3N2O2/c1-16(2,3)24-15(23)22-10-8-12(9-11-22)21-14-7-5-4-6-13(14)17(18,19)20/h4-7,12,21H,8-11H2,1-3H3
InChIKeyCUHAMCCERFSWRB-UHFFFAOYSA-N
MW344.38 g/mol
LogP4.52
Rot. Bonds2

About tert-butyl 4-[2-(trifluoromethyl)anilino]piperidine-1-carboxylate

tert-butyl 4-[2-(trifluoromethyl)anilino]piperidine-1-carboxylate (PubChem CID 66591750) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is tert-butyl 4-[2-(trifluoromethyl)anilino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(trifluoromethyl)anilino]piperidine-1-carboxylate
PubChem CID66591750
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Nametert-butyl 4-[2-(trifluoromethyl)anilino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H23F3N2O2/c1-16(2,3)24-15(23)22-10-8-12(9-11-22)21-14-7-5-4-6-13(14)17(18,19)20/h4-7,12,21H,8-11H2,1-3H3
InChIKeyCUHAMCCERFSWRB-UHFFFAOYSA-N
XLogP4.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-[2-(trifluoromethyl)anilino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(trifluoromethyl)anilino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(trifluoromethyl)anilino]piperidine-1-carboxylate (CID 66591750) is tert-butyl 4-[2-(trifluoromethyl)anilino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(trifluoromethyl)anilino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(trifluoromethyl)anilino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of tert-butyl 4-[2-(trifluoromethyl)anilino]piperidine-1-carboxylate?
The InChIKey is CUHAMCCERFSWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-16(2,3)24-15(23)22-10-8-12(9-11-22)21-14-7-5-4-6-13(14)17(18,19)20/h4-7,12,21H,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(trifluoromethyl)anilino]piperidine-1-carboxylate?
tert-butyl 4-[2-(trifluoromethyl)anilino]piperidine-1-carboxylate has a molecular weight of 344.38 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(trifluoromethyl)anilino]piperidine-1-carboxylate is sourced from PubChem (CID 66591750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).