4-fluoro-1-pyrimidin-4-ylpiperidine-4-carboxylic acid

C10H12FN3O2 — CID 142475934

IUPAC4-fluoro-1-pyrimidin-4-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(F)CCN(c2ccncn2)CC1
InChIInChI=1S/C10H12FN3O2/c11-10(9(15)16)2-5-14(6-3-10)8-1-4-12-7-13-8/h1,4,7H,2-3,5-6H2,(H,15,16)
InChIKeyNDKIMWQZGXUEGY-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.87
Rot. Bonds2

About 4-fluoro-1-pyrimidin-4-ylpiperidine-4-carboxylic acid

4-fluoro-1-pyrimidin-4-ylpiperidine-4-carboxylic acid (PubChem CID 142475934) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is 4-fluoro-1-pyrimidin-4-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-1-pyrimidin-4-ylpiperidine-4-carboxylic acid
PubChem CID142475934
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name4-fluoro-1-pyrimidin-4-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(F)CCN(c2ccncn2)CC1
InChIInChI=1S/C10H12FN3O2/c11-10(9(15)16)2-5-14(6-3-10)8-1-4-12-7-13-8/h1,4,7H,2-3,5-6H2,(H,15,16)
InChIKeyNDKIMWQZGXUEGY-UHFFFAOYSA-N
XLogP0.87
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 2767267
1-(Pyrimidin-2-yl)piperidine-3-carboxylic acid
CID 4736951
1-(2-Pyrimidinyl)-4-piperidinemethanol
CID 2776521
1-(5-Bromopyrimidin-2-yl)piperidine-4-carboxylic acid
CID 2761041
1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic Acid
CID 2777798
3-(Pyrimidin-2-yl)propanoic acid
CID 5152885
1-(2-Chloropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 45789847
1-(Pyrimidin-4-yl)piperidine-4-carboxylic acid hydrochloride
CID 67239180
1-(6-(1H-imidazol-1-yl)pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 71778750
1-(4-Methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 23607535
1-(Pyrimidin-4-yl)piperidine-3-carboxylic acid hydrochloride
CID 177800057
2-{1-[2-(Methylamino)pyrimidin-4-YL]piperidin-4-YL}acetic acid
CID 90487992

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-pyrimidin-4-ylpiperidine-4-carboxylic acid?
The IUPAC name of 4-fluoro-1-pyrimidin-4-ylpiperidine-4-carboxylic acid (CID 142475934) is 4-fluoro-1-pyrimidin-4-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-fluoro-1-pyrimidin-4-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-fluoro-1-pyrimidin-4-ylpiperidine-4-carboxylic acid is O=C(O)C1(F)CCN(c2ccncn2)CC1.
What is the InChIKey of 4-fluoro-1-pyrimidin-4-ylpiperidine-4-carboxylic acid?
The InChIKey is NDKIMWQZGXUEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c11-10(9(15)16)2-5-14(6-3-10)8-1-4-12-7-13-8/h1,4,7H,2-3,5-6H2,(H,15,16).
What are the key properties of 4-fluoro-1-pyrimidin-4-ylpiperidine-4-carboxylic acid?
4-fluoro-1-pyrimidin-4-ylpiperidine-4-carboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-pyrimidin-4-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 142475934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).