4-[4-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid

C10H16FNO3 — CID 121200918

IUPAC4-[4-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCC(CF)CC1
InChIInChI=1S/C10H16FNO3/c11-7-8-3-5-12(6-4-8)9(13)1-2-10(14)15/h8H,1-7H2,(H,14,15)
InChIKeyXZEAUUDVKCDLKW-UHFFFAOYSA-N
MW217.24 g/mol
LogP1.06
Rot. Bonds4

About 4-[4-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid

4-[4-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid (PubChem CID 121200918) has the molecular formula C10H16FNO3 and a molecular weight of 217.24 g/mol. Its IUPAC name is 4-[4-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid
PubChem CID121200918
Molecular FormulaC10H16FNO3
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Name4-[4-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCC(CF)CC1
InChIInChI=1S/C10H16FNO3/c11-7-8-3-5-12(6-4-8)9(13)1-2-10(14)15/h8H,1-7H2,(H,14,15)
InChIKeyXZEAUUDVKCDLKW-UHFFFAOYSA-N
XLogP1.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-Acetylpiperidine-4-carboxylic acid
CID 117255
1-Propionyl-4-piperidinecarboxylic acid
CID 685155
1-(3-Methylbutanoyl)-4-piperidinecarboxylic acid
CID 16769238
1-(2-Methylpropanoyl)piperidine-4-carboxylic acid
CID 16770959
1-Methyl-2-oxopiperidine-4-carboxylic acid
CID 22265446
1-(Prop-2-ynoyl)piperidine-4-carboxylic acid
CID 24696023
1-(Carbonofluoridoyl)piperidine-4-carboxylic acid
CID 143488886
1-(2-Fluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 165997509
1-[4-[Acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylic acid
CID 14896511
4-Oxo-4-(piperidin-1-yl)butanoic acid
CID 792860
1-(Cyclopropylcarbonyl)piperidine-4-carboxylic acid
CID 8902915
1-(2,2,2-Trifluoroacetyl)piperidine-4-carboxylic acid
CID 4552138

Frequently Asked Questions

What is the IUPAC name of 4-[4-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[4-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid (CID 121200918) is 4-[4-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid is O=C(O)CCC(=O)N1CCC(CF)CC1.
What is the InChIKey of 4-[4-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid?
The InChIKey is XZEAUUDVKCDLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO3/c11-7-8-3-5-12(6-4-8)9(13)1-2-10(14)15/h8H,1-7H2,(H,14,15).
What are the key properties of 4-[4-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid?
4-[4-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid has a molecular weight of 217.24 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 121200918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).