tert-butyl 4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylate

C16H22F3N3O3 — CID 67954394

IUPACtert-butyl 4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C16H22F3N3O3/c1-10-9-12(21-13(20-10)16(17,18)19)24-11-5-7-22(8-6-11)14(23)25-15(2,3)4/h9,11H,5-8H2,1-4H3
InChIKeyONPGJMWAEVRZGO-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.58
Rot. Bonds2

About tert-butyl 4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylate

tert-butyl 4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 67954394) has the molecular formula C16H22F3N3O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is tert-butyl 4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID67954394
Molecular FormulaC16H22F3N3O3
Molecular Weight361.36 g/mol
Exact Mass361.16
IUPAC Nametert-butyl 4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C16H22F3N3O3/c1-10-9-12(21-13(20-10)16(17,18)19)24-11-5-7-22(8-6-11)14(23)25-15(2,3)4/h9,11H,5-8H2,1-4H3
InChIKeyONPGJMWAEVRZGO-UHFFFAOYSA-N
XLogP3.58
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 67954394) is tert-butyl 4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylate is Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)nc(C(F)(F)F)n1.
What is the InChIKey of tert-butyl 4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is ONPGJMWAEVRZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3/c1-10-9-12(21-13(20-10)16(17,18)19)24-11-5-7-22(8-6-11)14(23)25-15(2,3)4/h9,11H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylate?
tert-butyl 4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 361.36 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 67954394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).