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

C9H16FNO2 — CID 105443604

IUPAC3-(3-fluoro-1-methylpiperidin-4-yl)propanoic acid
SMILESCN1CCC(CCC(=O)O)C(F)C1
InChIInChI=1S/C9H16FNO2/c1-11-5-4-7(8(10)6-11)2-3-9(12)13/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyMCIFFHMLZKOQHQ-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.14
Rot. Bonds3

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

3-(3-fluoro-1-methylpiperidin-4-yl)propanoic acid (PubChem CID 105443604) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 3-(3-fluoro-1-methylpiperidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-fluoro-1-methylpiperidin-4-yl)propanoic acid
PubChem CID105443604
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name3-(3-fluoro-1-methylpiperidin-4-yl)propanoic acid
SMILESCN1CCC(CCC(=O)O)C(F)C1
InChIInChI=1S/C9H16FNO2/c1-11-5-4-7(8(10)6-11)2-3-9(12)13/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyMCIFFHMLZKOQHQ-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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-1-methylpiperidin-4-yl)propanoic acid?
The IUPAC name of 3-(3-fluoro-1-methylpiperidin-4-yl)propanoic acid (CID 105443604) is 3-(3-fluoro-1-methylpiperidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(3-fluoro-1-methylpiperidin-4-yl)propanoic acid?
The canonical SMILES for 3-(3-fluoro-1-methylpiperidin-4-yl)propanoic acid is CN1CCC(CCC(=O)O)C(F)C1.
What is the InChIKey of 3-(3-fluoro-1-methylpiperidin-4-yl)propanoic acid?
The InChIKey is MCIFFHMLZKOQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-11-5-4-7(8(10)6-11)2-3-9(12)13/h7-8H,2-6H2,1H3,(H,12,13).
What are the key properties of 3-(3-fluoro-1-methylpiperidin-4-yl)propanoic acid?
3-(3-fluoro-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-(3-fluoro-1-methylpiperidin-4-yl)propanoic acid is sourced from PubChem (CID 105443604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).