4-ethyl-4-fluoropiperidine-1,2-dicarboxylic acid

C9H14FNO4 — CID 18446433

IUPAC4-ethyl-4-fluoropiperidine-1,2-dicarboxylic acid
SMILESCCC1(F)CCN(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C9H14FNO4/c1-2-9(10)3-4-11(8(14)15)6(5-9)7(12)13/h6H,2-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyVQSJYLIZBAABAK-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.33
Rot. Bonds2

About 4-ethyl-4-fluoropiperidine-1,2-dicarboxylic acid

4-ethyl-4-fluoropiperidine-1,2-dicarboxylic acid (PubChem CID 18446433) has the molecular formula C9H14FNO4 and a molecular weight of 219.21 g/mol. Its IUPAC name is 4-ethyl-4-fluoropiperidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-ethyl-4-fluoropiperidine-1,2-dicarboxylic acid
PubChem CID18446433
Molecular FormulaC9H14FNO4
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name4-ethyl-4-fluoropiperidine-1,2-dicarboxylic acid
SMILESCCC1(F)CCN(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C9H14FNO4/c1-2-9(10)3-4-11(8(14)15)6(5-9)7(12)13/h6H,2-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyVQSJYLIZBAABAK-UHFFFAOYSA-N
XLogP1.33
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Tert-butoxy)carbonyl]piperidine-2-carboxylic acid
CID 581831
(2R)-1-[(tert-butoxy)carbonyl]piperidine-2-carboxylic acid
CID 688618
(2S)-1-((tert-butoxy)carbonyl)piperidine-2-carboxylic acid
CID 688617
1-Acetylpiperidine-2-carboxylic acid
CID 4472712
1-Acetyl-2-carboxypiperidine
CID 5287692
1-Butanoylpiperidine-2-carboxylic acid
CID 20119283
1-((Tert-butoxy)carbonyl)-4,4-difluoropiperidine-2-carboxylic acid
CID 10106900
1-[(Tert-butoxy)carbonyl]-5-methylpiperidine-2-carboxylic acid
CID 69619394
1-[(Tert-butoxy)carbonyl]-4,4-dimethylpiperidine-2-carboxylic acid
CID 10515301
1-((Tert-butoxy)carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 14482388
1-((Tert-butoxy)carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 14482389
1-(3-Methylbutanoyl)piperidine-2-carboxylic acid
CID 16228207

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-fluoropiperidine-1,2-dicarboxylic acid?
The IUPAC name of 4-ethyl-4-fluoropiperidine-1,2-dicarboxylic acid (CID 18446433) is 4-ethyl-4-fluoropiperidine-1,2-dicarboxylic acid.
What is the SMILES notation for 4-ethyl-4-fluoropiperidine-1,2-dicarboxylic acid?
The canonical SMILES for 4-ethyl-4-fluoropiperidine-1,2-dicarboxylic acid is CCC1(F)CCN(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-4-fluoropiperidine-1,2-dicarboxylic acid?
The InChIKey is VQSJYLIZBAABAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO4/c1-2-9(10)3-4-11(8(14)15)6(5-9)7(12)13/h6H,2-5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-ethyl-4-fluoropiperidine-1,2-dicarboxylic acid?
4-ethyl-4-fluoropiperidine-1,2-dicarboxylic acid has a molecular weight of 219.21 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-fluoropiperidine-1,2-dicarboxylic acid is sourced from PubChem (CID 18446433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).