4-fluoro-1-pyrimidin-2-ylpiperidine-4-carboxylic acid

C10H12FN3O2 — CID 142475990

IUPAC4-fluoro-1-pyrimidin-2-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(F)CCN(c2ncccn2)CC1
InChIInChI=1S/C10H12FN3O2/c11-10(8(15)16)2-6-14(7-3-10)9-12-4-1-5-13-9/h1,4-5H,2-3,6-7H2,(H,15,16)
InChIKeyCSTDYJLUMGILFJ-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.87
Rot. Bonds2

About 4-fluoro-1-pyrimidin-2-ylpiperidine-4-carboxylic acid

4-fluoro-1-pyrimidin-2-ylpiperidine-4-carboxylic acid (PubChem CID 142475990) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is 4-fluoro-1-pyrimidin-2-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-1-pyrimidin-2-ylpiperidine-4-carboxylic acid
PubChem CID142475990
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name4-fluoro-1-pyrimidin-2-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(F)CCN(c2ncccn2)CC1
InChIInChI=1S/C10H12FN3O2/c11-10(8(15)16)2-6-14(7-3-10)9-12-4-1-5-13-9/h1,4-5H,2-3,6-7H2,(H,15,16)
InChIKeyCSTDYJLUMGILFJ-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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-pyrimidin-2-ylpiperidine-4-carboxylic acid?
The IUPAC name of 4-fluoro-1-pyrimidin-2-ylpiperidine-4-carboxylic acid (CID 142475990) is 4-fluoro-1-pyrimidin-2-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-fluoro-1-pyrimidin-2-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-fluoro-1-pyrimidin-2-ylpiperidine-4-carboxylic acid is O=C(O)C1(F)CCN(c2ncccn2)CC1.
What is the InChIKey of 4-fluoro-1-pyrimidin-2-ylpiperidine-4-carboxylic acid?
The InChIKey is CSTDYJLUMGILFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c11-10(8(15)16)2-6-14(7-3-10)9-12-4-1-5-13-9/h1,4-5H,2-3,6-7H2,(H,15,16).
What are the key properties of 4-fluoro-1-pyrimidin-2-ylpiperidine-4-carboxylic acid?
4-fluoro-1-pyrimidin-2-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-2-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 142475990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).