tert-butyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate

C13H19FN4O2 — CID 69452823

IUPACtert-butyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C13H19FN4O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-15-8-10(14)9-16-11/h8-9H,4-7H2,1-3H3
InChIKeyQXCSVYFIYMPEGY-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.67
Rot. Bonds1

About tert-butyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate

tert-butyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate (PubChem CID 69452823) has the molecular formula C13H19FN4O2 and a molecular weight of 282.32 g/mol. Its IUPAC name is tert-butyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate
PubChem CID69452823
Molecular FormulaC13H19FN4O2
Molecular Weight282.32 g/mol
Exact Mass282.15
IUPAC Nametert-butyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C13H19FN4O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-15-8-10(14)9-16-11/h8-9H,4-7H2,1-3H3
InChIKeyQXCSVYFIYMPEGY-UHFFFAOYSA-N
XLogP1.67
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.67
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-fluoropyrimidin-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate (CID 69452823) is tert-butyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of tert-butyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate?
The InChIKey is QXCSVYFIYMPEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-15-8-10(14)9-16-11/h8-9H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate?
tert-butyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate has a molecular weight of 282.32 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 69452823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).