1-O-(2-methylbutan-2-yl) 4-O-(1,1,1-trifluoropropan-2-yl) piperidine-1,4-dicarboxylate

C15H24F3NO4 — CID 70958375

IUPAC1-O-(2-methylbutan-2-yl) 4-O-(1,1,1-trifluoropropan-2-yl) piperidine-1,4-dicarboxylate
SMILESCCC(C)(C)OC(=O)N1CCC(C(=O)OC(C)C(F)(F)F)CC1
InChIInChI=1S/C15H24F3NO4/c1-5-14(3,4)23-13(21)19-8-6-11(7-9-19)12(20)22-10(2)15(16,17)18/h10-11H,5-9H2,1-4H3
InChIKeyFAZYZXCCTGSECZ-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.52
Rot. Bonds4

About 1-O-(2-methylbutan-2-yl) 4-O-(1,1,1-trifluoropropan-2-yl) piperidine-1,4-dicarboxylate

1-O-(2-methylbutan-2-yl) 4-O-(1,1,1-trifluoropropan-2-yl) piperidine-1,4-dicarboxylate (PubChem CID 70958375) has the molecular formula C15H24F3NO4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 1-O-(2-methylbutan-2-yl) 4-O-(1,1,1-trifluoropropan-2-yl) piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-(2-methylbutan-2-yl) 4-O-(1,1,1-trifluoropropan-2-yl) piperidine-1,4-dicarboxylate
PubChem CID70958375
Molecular FormulaC15H24F3NO4
Molecular Weight339.35 g/mol
Exact Mass339.17
IUPAC Name1-O-(2-methylbutan-2-yl) 4-O-(1,1,1-trifluoropropan-2-yl) piperidine-1,4-dicarboxylate
SMILESCCC(C)(C)OC(=O)N1CCC(C(=O)OC(C)C(F)(F)F)CC1
InChIInChI=1S/C15H24F3NO4/c1-5-14(3,4)23-13(21)19-8-6-11(7-9-19)12(20)22-10(2)15(16,17)18/h10-11H,5-9H2,1-4H3
InChIKeyFAZYZXCCTGSECZ-UHFFFAOYSA-N
XLogP3.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-O-(2-methylbutan-2-yl) 4-O-(1,1,1-trifluoropropan-2-yl) piperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-(2-methylbutan-2-yl) 4-O-(1,1,1-trifluoropropan-2-yl) piperidine-1,4-dicarboxylate (CID 70958375) is 1-O-(2-methylbutan-2-yl) 4-O-(1,1,1-trifluoropropan-2-yl) piperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-(2-methylbutan-2-yl) 4-O-(1,1,1-trifluoropropan-2-yl) piperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-(2-methylbutan-2-yl) 4-O-(1,1,1-trifluoropropan-2-yl) piperidine-1,4-dicarboxylate is CCC(C)(C)OC(=O)N1CCC(C(=O)OC(C)C(F)(F)F)CC1.
What is the InChIKey of 1-O-(2-methylbutan-2-yl) 4-O-(1,1,1-trifluoropropan-2-yl) piperidine-1,4-dicarboxylate?
The InChIKey is FAZYZXCCTGSECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO4/c1-5-14(3,4)23-13(21)19-8-6-11(7-9-19)12(20)22-10(2)15(16,17)18/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-O-(2-methylbutan-2-yl) 4-O-(1,1,1-trifluoropropan-2-yl) piperidine-1,4-dicarboxylate?
1-O-(2-methylbutan-2-yl) 4-O-(1,1,1-trifluoropropan-2-yl) piperidine-1,4-dicarboxylate has a molecular weight of 339.35 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(2-methylbutan-2-yl) 4-O-(1,1,1-trifluoropropan-2-yl) piperidine-1,4-dicarboxylate is sourced from PubChem (CID 70958375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).