4-fluoro-6-piperidin-1-ylpyrimidine

C9H12FN3 — CID 115416383

IUPAC4-fluoro-6-piperidin-1-ylpyrimidine
SMILESFc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C9H12FN3/c10-8-6-9(12-7-11-8)13-4-2-1-3-5-13/h6-7H,1-5H2
InChIKeyDRZWAGJGCBGDOF-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.61
Rot. Bonds1

About 4-fluoro-6-piperidin-1-ylpyrimidine

4-fluoro-6-piperidin-1-ylpyrimidine (PubChem CID 115416383) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is 4-fluoro-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-fluoro-6-piperidin-1-ylpyrimidine
PubChem CID115416383
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name4-fluoro-6-piperidin-1-ylpyrimidine
SMILESFc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C9H12FN3/c10-8-6-9(12-7-11-8)13-4-2-1-3-5-13/h6-7H,1-5H2
InChIKeyDRZWAGJGCBGDOF-UHFFFAOYSA-N
XLogP1.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-piperidin-1-ylpyrimidine?
The IUPAC name of 4-fluoro-6-piperidin-1-ylpyrimidine (CID 115416383) is 4-fluoro-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-fluoro-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-fluoro-6-piperidin-1-ylpyrimidine is Fc1cc(N2CCCCC2)ncn1.
What is the InChIKey of 4-fluoro-6-piperidin-1-ylpyrimidine?
The InChIKey is DRZWAGJGCBGDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c10-8-6-9(12-7-11-8)13-4-2-1-3-5-13/h6-7H,1-5H2.
What are the key properties of 4-fluoro-6-piperidin-1-ylpyrimidine?
4-fluoro-6-piperidin-1-ylpyrimidine has a molecular weight of 181.21 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 115416383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).