4-fluoro-4-propylpiperidine-1,2-dicarboxylic acid

C10H16FNO4 — CID 18446306

IUPAC4-fluoro-4-propylpiperidine-1,2-dicarboxylic acid
SMILESCCCC1(F)CCN(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C10H16FNO4/c1-2-3-10(11)4-5-12(9(15)16)7(6-10)8(13)14/h7H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyCKKLSIIYLLLYLT-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.72
Rot. Bonds3

About 4-fluoro-4-propylpiperidine-1,2-dicarboxylic acid

4-fluoro-4-propylpiperidine-1,2-dicarboxylic acid (PubChem CID 18446306) has the molecular formula C10H16FNO4 and a molecular weight of 233.24 g/mol. Its IUPAC name is 4-fluoro-4-propylpiperidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-fluoro-4-propylpiperidine-1,2-dicarboxylic acid
PubChem CID18446306
Molecular FormulaC10H16FNO4
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name4-fluoro-4-propylpiperidine-1,2-dicarboxylic acid
SMILESCCCC1(F)CCN(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C10H16FNO4/c1-2-3-10(11)4-5-12(9(15)16)7(6-10)8(13)14/h7H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyCKKLSIIYLLLYLT-UHFFFAOYSA-N
XLogP1.72
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-propylpiperidine-1,2-dicarboxylic acid?
The IUPAC name of 4-fluoro-4-propylpiperidine-1,2-dicarboxylic acid (CID 18446306) is 4-fluoro-4-propylpiperidine-1,2-dicarboxylic acid.
What is the SMILES notation for 4-fluoro-4-propylpiperidine-1,2-dicarboxylic acid?
The canonical SMILES for 4-fluoro-4-propylpiperidine-1,2-dicarboxylic acid is CCCC1(F)CCN(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 4-fluoro-4-propylpiperidine-1,2-dicarboxylic acid?
The InChIKey is CKKLSIIYLLLYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO4/c1-2-3-10(11)4-5-12(9(15)16)7(6-10)8(13)14/h7H,2-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-fluoro-4-propylpiperidine-1,2-dicarboxylic acid?
4-fluoro-4-propylpiperidine-1,2-dicarboxylic acid has a molecular weight of 233.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-propylpiperidine-1,2-dicarboxylic acid is sourced from PubChem (CID 18446306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).