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

C11H18FNO4 — CID 18446431

IUPAC4-butyl-4-fluoropiperidine-1,2-dicarboxylic acid
SMILESCCCCC1(F)CCN(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C11H18FNO4/c1-2-3-4-11(12)5-6-13(10(16)17)8(7-11)9(14)15/h8H,2-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyBHPJFAIUTYDGAH-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.11
Rot. Bonds4

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

4-butyl-4-fluoropiperidine-1,2-dicarboxylic acid (PubChem CID 18446431) has the molecular formula C11H18FNO4 and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-butyl-4-fluoropiperidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-butyl-4-fluoropiperidine-1,2-dicarboxylic acid
PubChem CID18446431
Molecular FormulaC11H18FNO4
Molecular Weight247.27 g/mol
Exact Mass247.12
IUPAC Name4-butyl-4-fluoropiperidine-1,2-dicarboxylic acid
SMILESCCCCC1(F)CCN(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C11H18FNO4/c1-2-3-4-11(12)5-6-13(10(16)17)8(7-11)9(14)15/h8H,2-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyBHPJFAIUTYDGAH-UHFFFAOYSA-N
XLogP2.11
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-4-fluoropiperidine-1,2-dicarboxylic acid?
The IUPAC name of 4-butyl-4-fluoropiperidine-1,2-dicarboxylic acid (CID 18446431) is 4-butyl-4-fluoropiperidine-1,2-dicarboxylic acid.
What is the SMILES notation for 4-butyl-4-fluoropiperidine-1,2-dicarboxylic acid?
The canonical SMILES for 4-butyl-4-fluoropiperidine-1,2-dicarboxylic acid is CCCCC1(F)CCN(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 4-butyl-4-fluoropiperidine-1,2-dicarboxylic acid?
The InChIKey is BHPJFAIUTYDGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO4/c1-2-3-4-11(12)5-6-13(10(16)17)8(7-11)9(14)15/h8H,2-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-butyl-4-fluoropiperidine-1,2-dicarboxylic acid?
4-butyl-4-fluoropiperidine-1,2-dicarboxylic acid has a molecular weight of 247.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4-fluoropiperidine-1,2-dicarboxylic acid is sourced from PubChem (CID 18446431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).