3-ethyl-5-fluoropiperidine-1,3-dicarboxylic acid

C9H14FNO4 — CID 146598051

IUPAC3-ethyl-5-fluoropiperidine-1,3-dicarboxylic acid
SMILESCCC1(C(=O)O)CC(F)CN(C(=O)O)C1
InChIInChI=1S/C9H14FNO4/c1-2-9(7(12)13)3-6(10)4-11(5-9)8(14)15/h6H,2-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyPLPRTYIZKXNANG-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.19
Rot. Bonds2

About 3-ethyl-5-fluoropiperidine-1,3-dicarboxylic acid

3-ethyl-5-fluoropiperidine-1,3-dicarboxylic acid (PubChem CID 146598051) has the molecular formula C9H14FNO4 and a molecular weight of 219.21 g/mol. Its IUPAC name is 3-ethyl-5-fluoropiperidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name3-ethyl-5-fluoropiperidine-1,3-dicarboxylic acid
PubChem CID146598051
Molecular FormulaC9H14FNO4
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name3-ethyl-5-fluoropiperidine-1,3-dicarboxylic acid
SMILESCCC1(C(=O)O)CC(F)CN(C(=O)O)C1
InChIInChI=1S/C9H14FNO4/c1-2-9(7(12)13)3-6(10)4-11(5-9)8(14)15/h6H,2-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyPLPRTYIZKXNANG-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoropiperidine-1,3-dicarboxylic acid?
The IUPAC name of 3-ethyl-5-fluoropiperidine-1,3-dicarboxylic acid (CID 146598051) is 3-ethyl-5-fluoropiperidine-1,3-dicarboxylic acid.
What is the SMILES notation for 3-ethyl-5-fluoropiperidine-1,3-dicarboxylic acid?
The canonical SMILES for 3-ethyl-5-fluoropiperidine-1,3-dicarboxylic acid is CCC1(C(=O)O)CC(F)CN(C(=O)O)C1.
What is the InChIKey of 3-ethyl-5-fluoropiperidine-1,3-dicarboxylic acid?
The InChIKey is PLPRTYIZKXNANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO4/c1-2-9(7(12)13)3-6(10)4-11(5-9)8(14)15/h6H,2-5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-ethyl-5-fluoropiperidine-1,3-dicarboxylic acid?
3-ethyl-5-fluoropiperidine-1,3-dicarboxylic acid has a molecular weight of 219.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoropiperidine-1,3-dicarboxylic acid is sourced from PubChem (CID 146598051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).