3-fluoro-3-(1-methylpiperidin-4-yl)propanoic acid

C9H16FNO2 — CID 83856314

IUPAC3-fluoro-3-(1-methylpiperidin-4-yl)propanoic acid
SMILESCN1CCC(C(F)CC(=O)O)CC1
InChIInChI=1S/C9H16FNO2/c1-11-4-2-7(3-5-11)8(10)6-9(12)13/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyRLXLVDFJERUUCU-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.14
Rot. Bonds3

About 3-fluoro-3-(1-methylpiperidin-4-yl)propanoic acid

3-fluoro-3-(1-methylpiperidin-4-yl)propanoic acid (PubChem CID 83856314) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 3-fluoro-3-(1-methylpiperidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-fluoro-3-(1-methylpiperidin-4-yl)propanoic acid
PubChem CID83856314
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name3-fluoro-3-(1-methylpiperidin-4-yl)propanoic acid
SMILESCN1CCC(C(F)CC(=O)O)CC1
InChIInChI=1S/C9H16FNO2/c1-11-4-2-7(3-5-11)8(10)6-9(12)13/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyRLXLVDFJERUUCU-UHFFFAOYSA-N
XLogP1.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-3-(1-methylpiperidin-4-yl)propanoic 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

3-cyclohexyl-3-fluoropropanoic acid
CID 105435814
3-methyl-4-(methylamino)-4-(1-methylpiperidin-4-yl)butanoic acid
CID 116953519
3-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
CID 82776291
4-(dimethylamino)-3-methyl-4-(1-methylpyrrolidin-3-yl)butanoic acid
CID 116908186
4-amino-3,3-dimethyl-4-(1-methylpiperidin-4-yl)butanoic acid
CID 116938352
3-amino-4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butanoic acid
CID 116911919
2-(1-methylpiperidin-4-yl)hexanoic acid
CID 174928941
methyl 2-amino-3-fluoro-3-(1-methylpiperidin-4-yl)propanoate
CID 105472579
ethyl 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoate
CID 12535231
4-cyclohexyl-4-fluorobutan-2-one
CID 105435232
3,3-dimethyl-2-(1-methylpiperidin-4-yl)butanoic acid
CID 116825069
3-(1-methylpiperidin-4-yl)-3-pyridazin-3-ylpropanoic acid
CID 116833960

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(1-methylpiperidin-4-yl)propanoic acid?
The IUPAC name of 3-fluoro-3-(1-methylpiperidin-4-yl)propanoic acid (CID 83856314) is 3-fluoro-3-(1-methylpiperidin-4-yl)propanoic acid.
What is the SMILES notation for 3-fluoro-3-(1-methylpiperidin-4-yl)propanoic acid?
The canonical SMILES for 3-fluoro-3-(1-methylpiperidin-4-yl)propanoic acid is CN1CCC(C(F)CC(=O)O)CC1.
What is the InChIKey of 3-fluoro-3-(1-methylpiperidin-4-yl)propanoic acid?
The InChIKey is RLXLVDFJERUUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-11-4-2-7(3-5-11)8(10)6-9(12)13/h7-8H,2-6H2,1H3,(H,12,13).
What are the key properties of 3-fluoro-3-(1-methylpiperidin-4-yl)propanoic acid?
3-fluoro-3-(1-methylpiperidin-4-yl)propanoic acid has a molecular weight of 189.23 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(1-methylpiperidin-4-yl)propanoic acid is sourced from PubChem (CID 83856314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).