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

C11H13F2N3O2 — CID 169090107

IUPACmethyl 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1(F)CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C11H13F2N3O2/c1-18-9(17)11(13)2-4-16(5-3-11)10-14-6-8(12)7-15-10/h6-7H,2-5H2,1H3
InChIKeyXYXYGPWTDXAELD-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.10
Rot. Bonds2

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

methyl 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate (PubChem CID 169090107) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is methyl 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
PubChem CID169090107
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC Namemethyl 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1(F)CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C11H13F2N3O2/c1-18-9(17)11(13)2-4-16(5-3-11)10-14-6-8(12)7-15-10/h6-7H,2-5H2,1H3
InChIKeyXYXYGPWTDXAELD-UHFFFAOYSA-N
XLogP1.10
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 2767267
1-(5-Bromopyrimidin-2-yl)piperidine-4-carboxylic acid
CID 2761041
Ethyl 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-4-carboxylate
CID 50953683
1-(5-Fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
CID 56879120
Ethyl 4-(4-(5-fluoro-2-pyrimidinyl)piperazin-1-yl)butanoate
CID 15729889
2-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 57962475
1-(5-Fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 60137806
Acetic acid;[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl] 2,2,2-trifluoroacetate
CID 66881242
2-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 66881245
Ethyl 1-(5-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylate
CID 66976947
(5-Bromopyrimidin-2-yl) 4-fluoropiperidine-4-carboxylate
CID 66981271
1-(5-Bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid
CID 66981272

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate (CID 169090107) is methyl 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate is COC(=O)C1(F)CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of methyl 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate?
The InChIKey is XYXYGPWTDXAELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c1-18-9(17)11(13)2-4-16(5-3-11)10-14-6-8(12)7-15-10/h6-7H,2-5H2,1H3.
What are the key properties of methyl 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate?
methyl 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate has a molecular weight of 257.24 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 169090107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).