tert-butyl 4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate

C15H20F3N3O3 — CID 67529408

IUPACtert-butyl 4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C15H20F3N3O3/c1-14(2,3)24-13(22)21-6-4-11(5-7-21)23-12-19-8-10(9-20-12)15(16,17)18/h8-9,11H,4-7H2,1-3H3
InChIKeyUXPOFRIYSLLUHQ-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.27
Rot. Bonds2

About tert-butyl 4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate

tert-butyl 4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate (PubChem CID 67529408) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is tert-butyl 4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate
PubChem CID67529408
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Nametert-butyl 4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C15H20F3N3O3/c1-14(2,3)24-13(22)21-6-4-11(5-7-21)23-12-19-8-10(9-20-12)15(16,17)18/h8-9,11H,4-7H2,1-3H3
InChIKeyUXPOFRIYSLLUHQ-UHFFFAOYSA-N
XLogP3.27
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate (CID 67529408) is tert-butyl 4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of tert-butyl 4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate?
The InChIKey is UXPOFRIYSLLUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-14(2,3)24-13(22)21-6-4-11(5-7-21)23-12-19-8-10(9-20-12)15(16,17)18/h8-9,11H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate?
tert-butyl 4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate has a molecular weight of 347.34 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 67529408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).