6-[3-(fluoromethyl)piperidin-1-yl]-3-methylpyrimidin-4-one

C11H16FN3O — CID 172881015

IUPAC6-[3-(fluoromethyl)piperidin-1-yl]-3-methylpyrimidin-4-one
SMILESCn1cnc(N2CCCC(CF)C2)cc1=O
InChIInChI=1S/C11H16FN3O/c1-14-8-13-10(5-11(14)16)15-4-2-3-9(6-12)7-15/h5,8-9H,2-4,6-7H2,1H3
InChIKeyAKZYKRQIOVSCBO-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.97
Rot. Bonds2

About 6-[3-(fluoromethyl)piperidin-1-yl]-3-methylpyrimidin-4-one

6-[3-(fluoromethyl)piperidin-1-yl]-3-methylpyrimidin-4-one (PubChem CID 172881015) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 6-[3-(fluoromethyl)piperidin-1-yl]-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-[3-(fluoromethyl)piperidin-1-yl]-3-methylpyrimidin-4-one
PubChem CID172881015
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name6-[3-(fluoromethyl)piperidin-1-yl]-3-methylpyrimidin-4-one
SMILESCn1cnc(N2CCCC(CF)C2)cc1=O
InChIInChI=1S/C11H16FN3O/c1-14-8-13-10(5-11(14)16)15-4-2-3-9(6-12)7-15/h5,8-9H,2-4,6-7H2,1H3
InChIKeyAKZYKRQIOVSCBO-UHFFFAOYSA-N
XLogP0.97
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[3-(fluoromethyl)piperidin-1-yl]-3-methylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-(fluoromethyl)piperidin-1-yl]-3-methylpyrimidin-4-one?
The IUPAC name of 6-[3-(fluoromethyl)piperidin-1-yl]-3-methylpyrimidin-4-one (CID 172881015) is 6-[3-(fluoromethyl)piperidin-1-yl]-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-[3-(fluoromethyl)piperidin-1-yl]-3-methylpyrimidin-4-one?
The canonical SMILES for 6-[3-(fluoromethyl)piperidin-1-yl]-3-methylpyrimidin-4-one is Cn1cnc(N2CCCC(CF)C2)cc1=O.
What is the InChIKey of 6-[3-(fluoromethyl)piperidin-1-yl]-3-methylpyrimidin-4-one?
The InChIKey is AKZYKRQIOVSCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-14-8-13-10(5-11(14)16)15-4-2-3-9(6-12)7-15/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of 6-[3-(fluoromethyl)piperidin-1-yl]-3-methylpyrimidin-4-one?
6-[3-(fluoromethyl)piperidin-1-yl]-3-methylpyrimidin-4-one has a molecular weight of 225.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(fluoromethyl)piperidin-1-yl]-3-methylpyrimidin-4-one is sourced from PubChem (CID 172881015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).