5-fluoro-2-piperidin-4-ylpyrimidine

C9H12FN3 — CID 89286485

IUPAC5-fluoro-2-piperidin-4-ylpyrimidine
SMILESFc1cnc(C2CCNCC2)nc1
InChIInChI=1S/C9H12FN3/c10-8-5-12-9(13-6-8)7-1-3-11-4-2-7/h5-7,11H,1-4H2
InChIKeyLRMZRTRYVXITLK-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.08
Rot. Bonds1

About 5-fluoro-2-piperidin-4-ylpyrimidine

5-fluoro-2-piperidin-4-ylpyrimidine (PubChem CID 89286485) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is 5-fluoro-2-piperidin-4-ylpyrimidine.

Molecular Properties

Compound Name5-fluoro-2-piperidin-4-ylpyrimidine
PubChem CID89286485
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name5-fluoro-2-piperidin-4-ylpyrimidine
SMILESFc1cnc(C2CCNCC2)nc1
InChIInChI=1S/C9H12FN3/c10-8-5-12-9(13-6-8)7-1-3-11-4-2-7/h5-7,11H,1-4H2
InChIKeyLRMZRTRYVXITLK-UHFFFAOYSA-N
XLogP1.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-piperidin-4-ylpyrimidine?
The IUPAC name of 5-fluoro-2-piperidin-4-ylpyrimidine (CID 89286485) is 5-fluoro-2-piperidin-4-ylpyrimidine.
What is the SMILES notation for 5-fluoro-2-piperidin-4-ylpyrimidine?
The canonical SMILES for 5-fluoro-2-piperidin-4-ylpyrimidine is Fc1cnc(C2CCNCC2)nc1.
What is the InChIKey of 5-fluoro-2-piperidin-4-ylpyrimidine?
The InChIKey is LRMZRTRYVXITLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c10-8-5-12-9(13-6-8)7-1-3-11-4-2-7/h5-7,11H,1-4H2.
What are the key properties of 5-fluoro-2-piperidin-4-ylpyrimidine?
5-fluoro-2-piperidin-4-ylpyrimidine has a molecular weight of 181.21 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-piperidin-4-ylpyrimidine is sourced from PubChem (CID 89286485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).