1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid

C10H12FN3O3 — CID 56879120

IUPAC1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(O)C1(O)CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C10H12FN3O3/c11-7-5-12-9(13-6-7)14-3-1-10(17,2-4-14)8(15)16/h5-6,17H,1-4H2,(H,15,16)
InChIKeyXXKXYJUGHUSIIO-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.03
Rot. Bonds2

About 1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid

1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 56879120) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID56879120
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Name1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(O)C1(O)CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C10H12FN3O3/c11-7-5-12-9(13-6-7)14-3-1-10(17,2-4-14)8(15)16/h5-6,17H,1-4H2,(H,15,16)
InChIKeyXXKXYJUGHUSIIO-UHFFFAOYSA-N
XLogP0.03
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 2767267
1-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
CID 56872934
1-(5-Bromopyrimidin-2-yl)piperidine-4-carboxylic acid
CID 2761041
2-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 57962475
1-(5-Fluoropyrimidin-2-yl)piperidine-3-carboxylic acid
CID 60137804
1-(5-Fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 60137806
1-(5-Bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid
CID 66981272
1-(5-Fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid
CID 104605913
1-(5-Fluoro-2-pyrimidinyl)-2-methyl-4-piperidinecarboxylic acid
CID 106742541
Methyl 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
CID 112703074
1-(5-Fluoro-2-pyrimidinyl)-4-piperidinecarboxylic acid ethyl ester
CID 113286004
3,3-Dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 121305954

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid (CID 56879120) is 1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid is O=C(O)C1(O)CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is XXKXYJUGHUSIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c11-7-5-12-9(13-6-7)14-3-1-10(17,2-4-14)8(15)16/h5-6,17H,1-4H2,(H,15,16).
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid?
1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 241.22 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 56879120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).