methyl 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate

C12H16FN3O3 — CID 162376324

IUPACmethyl 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ncc(F)c(OC)n2)CC1
InChIInChI=1S/C12H16FN3O3/c1-18-10-9(13)7-14-12(15-10)16-5-3-8(4-6-16)11(17)19-2/h7-8H,3-6H2,1-2H3
InChIKeyHSRTWAFJNIDYDI-UHFFFAOYSA-N
MW269.28 g/mol
LogP1.01
Rot. Bonds3

About methyl 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate

methyl 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate (PubChem CID 162376324) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is methyl 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate
PubChem CID162376324
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Namemethyl 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ncc(F)c(OC)n2)CC1
InChIInChI=1S/C12H16FN3O3/c1-18-10-9(13)7-14-12(15-10)16-5-3-8(4-6-16)11(17)19-2/h7-8H,3-6H2,1-2H3
InChIKeyHSRTWAFJNIDYDI-UHFFFAOYSA-N
XLogP1.01
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate (CID 162376324) is methyl 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate is COC(=O)C1CCN(c2ncc(F)c(OC)n2)CC1.
What is the InChIKey of methyl 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate?
The InChIKey is HSRTWAFJNIDYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c1-18-10-9(13)7-14-12(15-10)16-5-3-8(4-6-16)11(17)19-2/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate?
methyl 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate has a molecular weight of 269.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 162376324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).