ethyl 4-fluoro-1-(5-hydroxypyrimidin-2-yl)piperidine-4-carboxylate

C12H16FN3O3 — CID 90046862

IUPACethyl 4-fluoro-1-(5-hydroxypyrimidin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(F)CCN(c2ncc(O)cn2)CC1
InChIInChI=1S/C12H16FN3O3/c1-2-19-10(18)12(13)3-5-16(6-4-12)11-14-7-9(17)8-15-11/h7-8,17H,2-6H2,1H3
InChIKeyGVCGGVIUTHHNDK-UHFFFAOYSA-N
MW269.28 g/mol
LogP1.05
Rot. Bonds3

About ethyl 4-fluoro-1-(5-hydroxypyrimidin-2-yl)piperidine-4-carboxylate

ethyl 4-fluoro-1-(5-hydroxypyrimidin-2-yl)piperidine-4-carboxylate (PubChem CID 90046862) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is ethyl 4-fluoro-1-(5-hydroxypyrimidin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-fluoro-1-(5-hydroxypyrimidin-2-yl)piperidine-4-carboxylate
PubChem CID90046862
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Nameethyl 4-fluoro-1-(5-hydroxypyrimidin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(F)CCN(c2ncc(O)cn2)CC1
InChIInChI=1S/C12H16FN3O3/c1-2-19-10(18)12(13)3-5-16(6-4-12)11-14-7-9(17)8-15-11/h7-8,17H,2-6H2,1H3
InChIKeyGVCGGVIUTHHNDK-UHFFFAOYSA-N
XLogP1.05
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoro-1-(5-hydroxypyrimidin-2-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 4-fluoro-1-(5-hydroxypyrimidin-2-yl)piperidine-4-carboxylate (CID 90046862) is ethyl 4-fluoro-1-(5-hydroxypyrimidin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-fluoro-1-(5-hydroxypyrimidin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-fluoro-1-(5-hydroxypyrimidin-2-yl)piperidine-4-carboxylate is CCOC(=O)C1(F)CCN(c2ncc(O)cn2)CC1.
What is the InChIKey of ethyl 4-fluoro-1-(5-hydroxypyrimidin-2-yl)piperidine-4-carboxylate?
The InChIKey is GVCGGVIUTHHNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c1-2-19-10(18)12(13)3-5-16(6-4-12)11-14-7-9(17)8-15-11/h7-8,17H,2-6H2,1H3.
What are the key properties of ethyl 4-fluoro-1-(5-hydroxypyrimidin-2-yl)piperidine-4-carboxylate?
ethyl 4-fluoro-1-(5-hydroxypyrimidin-2-yl)piperidine-4-carboxylate has a molecular weight of 269.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoro-1-(5-hydroxypyrimidin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 90046862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).