tert-butyl 4-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate

C17H23F3N2O3 — CID 67954392

IUPACtert-butyl 4-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)nc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O3/c1-11-9-13(17(18,19)20)21-14(10-11)24-12-5-7-22(8-6-12)15(23)25-16(2,3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyHTCQPGNYSRDBKN-UHFFFAOYSA-N
MW360.38 g/mol
LogP4.19
Rot. Bonds2

About tert-butyl 4-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate

tert-butyl 4-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate (PubChem CID 67954392) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is tert-butyl 4-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
PubChem CID67954392
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC Nametert-butyl 4-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)nc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O3/c1-11-9-13(17(18,19)20)21-14(10-11)24-12-5-7-22(8-6-12)15(23)25-16(2,3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyHTCQPGNYSRDBKN-UHFFFAOYSA-N
XLogP4.19
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]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-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate (CID 67954392) is tert-butyl 4-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate is Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)nc(C(F)(F)F)c1.
What is the InChIKey of tert-butyl 4-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The InChIKey is HTCQPGNYSRDBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3/c1-11-9-13(17(18,19)20)21-14(10-11)24-12-5-7-22(8-6-12)15(23)25-16(2,3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
tert-butyl 4-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate has a molecular weight of 360.38 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 67954392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).