4-fluoro-3-methyl-6-propan-2-ylpiperidin-2-one

C9H16FNO — CID 170015577

IUPAC4-fluoro-3-methyl-6-propan-2-ylpiperidin-2-one
SMILESCC(C)C1CC(F)C(C)C(=O)N1
InChIInChI=1S/C9H16FNO/c1-5(2)8-4-7(10)6(3)9(12)11-8/h5-8H,4H2,1-3H3,(H,11,12)
InChIKeyWWEMXSGZQKMWPF-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.51
Rot. Bonds1

About 4-fluoro-3-methyl-6-propan-2-ylpiperidin-2-one

4-fluoro-3-methyl-6-propan-2-ylpiperidin-2-one (PubChem CID 170015577) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 4-fluoro-3-methyl-6-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name4-fluoro-3-methyl-6-propan-2-ylpiperidin-2-one
PubChem CID170015577
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name4-fluoro-3-methyl-6-propan-2-ylpiperidin-2-one
SMILESCC(C)C1CC(F)C(C)C(=O)N1
InChIInChI=1S/C9H16FNO/c1-5(2)8-4-7(10)6(3)9(12)11-8/h5-8H,4H2,1-3H3,(H,11,12)
InChIKeyWWEMXSGZQKMWPF-UHFFFAOYSA-N
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-3-methyl-6-propan-2-ylpiperidin-2-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 4-fluoro-3-methyl-6-propan-2-ylpiperidin-2-one?
The IUPAC name of 4-fluoro-3-methyl-6-propan-2-ylpiperidin-2-one (CID 170015577) is 4-fluoro-3-methyl-6-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 4-fluoro-3-methyl-6-propan-2-ylpiperidin-2-one?
The canonical SMILES for 4-fluoro-3-methyl-6-propan-2-ylpiperidin-2-one is CC(C)C1CC(F)C(C)C(=O)N1.
What is the InChIKey of 4-fluoro-3-methyl-6-propan-2-ylpiperidin-2-one?
The InChIKey is WWEMXSGZQKMWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-5(2)8-4-7(10)6(3)9(12)11-8/h5-8H,4H2,1-3H3,(H,11,12).
What are the key properties of 4-fluoro-3-methyl-6-propan-2-ylpiperidin-2-one?
4-fluoro-3-methyl-6-propan-2-ylpiperidin-2-one has a molecular weight of 173.23 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-6-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 170015577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).