5-ethyl-2-(3-fluoropiperidin-1-yl)pyrimidine

C11H16FN3 — CID 171704102

IUPAC5-ethyl-2-(3-fluoropiperidin-1-yl)pyrimidine
SMILESCCc1cnc(N2CCCC(F)C2)nc1
InChIInChI=1S/C11H16FN3/c1-2-9-6-13-11(14-7-9)15-5-3-4-10(12)8-15/h6-7,10H,2-5,8H2,1H3
InChIKeyJJEDEUKTYZIKIY-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.98
Rot. Bonds2

About 5-ethyl-2-(3-fluoropiperidin-1-yl)pyrimidine

5-ethyl-2-(3-fluoropiperidin-1-yl)pyrimidine (PubChem CID 171704102) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 5-ethyl-2-(3-fluoropiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-(3-fluoropiperidin-1-yl)pyrimidine
PubChem CID171704102
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name5-ethyl-2-(3-fluoropiperidin-1-yl)pyrimidine
SMILESCCc1cnc(N2CCCC(F)C2)nc1
InChIInChI=1S/C11H16FN3/c1-2-9-6-13-11(14-7-9)15-5-3-4-10(12)8-15/h6-7,10H,2-5,8H2,1H3
InChIKeyJJEDEUKTYZIKIY-UHFFFAOYSA-N
XLogP1.98
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3-fluoropiperidin-1-yl)pyrimidine?
The IUPAC name of 5-ethyl-2-(3-fluoropiperidin-1-yl)pyrimidine (CID 171704102) is 5-ethyl-2-(3-fluoropiperidin-1-yl)pyrimidine.
What is the SMILES notation for 5-ethyl-2-(3-fluoropiperidin-1-yl)pyrimidine?
The canonical SMILES for 5-ethyl-2-(3-fluoropiperidin-1-yl)pyrimidine is CCc1cnc(N2CCCC(F)C2)nc1.
What is the InChIKey of 5-ethyl-2-(3-fluoropiperidin-1-yl)pyrimidine?
The InChIKey is JJEDEUKTYZIKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c1-2-9-6-13-11(14-7-9)15-5-3-4-10(12)8-15/h6-7,10H,2-5,8H2,1H3.
What are the key properties of 5-ethyl-2-(3-fluoropiperidin-1-yl)pyrimidine?
5-ethyl-2-(3-fluoropiperidin-1-yl)pyrimidine has a molecular weight of 209.27 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-fluoropiperidin-1-yl)pyrimidine is sourced from PubChem (CID 171704102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).