(1,1,1-trifluoro-2-methylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate

C17H28F3NO4 — CID 70958176

IUPAC(1,1,1-trifluoro-2-methylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate
SMILESCCC(C)(C)C(=O)OC1CCN(C(=O)OC(C)(CC)C(F)(F)F)CC1
InChIInChI=1S/C17H28F3NO4/c1-6-15(3,4)13(22)24-12-8-10-21(11-9-12)14(23)25-16(5,7-2)17(18,19)20/h12H,6-11H2,1-5H3
InChIKeyKVVGEKITWKSTKN-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.30
Rot. Bonds5

About (1,1,1-trifluoro-2-methylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate

(1,1,1-trifluoro-2-methylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate (PubChem CID 70958176) has the molecular formula C17H28F3NO4 and a molecular weight of 367.41 g/mol. Its IUPAC name is (1,1,1-trifluoro-2-methylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate.

Molecular Properties

Compound Name(1,1,1-trifluoro-2-methylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate
PubChem CID70958176
Molecular FormulaC17H28F3NO4
Molecular Weight367.41 g/mol
Exact Mass367.20
IUPAC Name(1,1,1-trifluoro-2-methylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate
SMILESCCC(C)(C)C(=O)OC1CCN(C(=O)OC(C)(CC)C(F)(F)F)CC1
InChIInChI=1S/C17H28F3NO4/c1-6-15(3,4)13(22)24-12-8-10-21(11-9-12)14(23)25-16(5,7-2)17(18,19)20/h12H,6-11H2,1-5H3
InChIKeyKVVGEKITWKSTKN-UHFFFAOYSA-N
XLogP4.30
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1,1,1-trifluoro-2-methylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)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 (1,1,1-trifluoro-2-methylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate?
The IUPAC name of (1,1,1-trifluoro-2-methylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate (CID 70958176) is (1,1,1-trifluoro-2-methylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate.
What is the SMILES notation for (1,1,1-trifluoro-2-methylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate?
The canonical SMILES for (1,1,1-trifluoro-2-methylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate is CCC(C)(C)C(=O)OC1CCN(C(=O)OC(C)(CC)C(F)(F)F)CC1.
What is the InChIKey of (1,1,1-trifluoro-2-methylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate?
The InChIKey is KVVGEKITWKSTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3NO4/c1-6-15(3,4)13(22)24-12-8-10-21(11-9-12)14(23)25-16(5,7-2)17(18,19)20/h12H,6-11H2,1-5H3.
What are the key properties of (1,1,1-trifluoro-2-methylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate?
(1,1,1-trifluoro-2-methylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-2-methylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate is sourced from PubChem (CID 70958176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).