4-fluoropiperidine-1,4-dicarboxylic acid

C7H10FNO4 — CID 90919667

IUPAC4-fluoropiperidine-1,4-dicarboxylic acid
SMILESO=C(O)N1CCC(F)(C(=O)O)CC1
InChIInChI=1S/C7H10FNO4/c8-7(5(10)11)1-3-9(4-2-7)6(12)13/h1-4H2,(H,10,11)(H,12,13)
InChIKeyUJEDUDPNZYSQKQ-UHFFFAOYSA-N
MW191.16 g/mol
LogP0.55
Rot. Bonds1

About 4-fluoropiperidine-1,4-dicarboxylic acid

4-fluoropiperidine-1,4-dicarboxylic acid (PubChem CID 90919667) has the molecular formula C7H10FNO4 and a molecular weight of 191.16 g/mol. Its IUPAC name is 4-fluoropiperidine-1,4-dicarboxylic acid.

Molecular Properties

Compound Name4-fluoropiperidine-1,4-dicarboxylic acid
PubChem CID90919667
Molecular FormulaC7H10FNO4
Molecular Weight191.16 g/mol
Exact Mass191.06
IUPAC Name4-fluoropiperidine-1,4-dicarboxylic acid
SMILESO=C(O)N1CCC(F)(C(=O)O)CC1
InChIInChI=1S/C7H10FNO4/c8-7(5(10)11)1-3-9(4-2-7)6(12)13/h1-4H2,(H,10,11)(H,12,13)
InChIKeyUJEDUDPNZYSQKQ-UHFFFAOYSA-N
XLogP0.55
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Acetylpiperidine-4-carboxylic acid
CID 117255
1-(Methoxycarbonyl)piperidine-4-carboxylic acid
CID 1490569
1-Formyl-4-piperidinecarboxylic Acid
CID 2759232
1-Propionyl-4-piperidinecarboxylic acid
CID 685155
1-(3-Methylbutanoyl)-4-piperidinecarboxylic acid
CID 16769238
1-(2-Methylpropanoyl)piperidine-4-carboxylic acid
CID 16770959
1-Acetyl-4-methylpiperidine-4-carboxylic acid
CID 19361808
1-(tert-Butoxycarbonyl)-4-fluoropiperidine-4-carboxylic Acid
CID 21050397
4-Fluoro-1-methylpiperidine-4-carboxylic acid hydrochloride
CID 91667882
1-(Carbonofluoridoyl)piperidine-4-carboxylic acid
CID 143488886
1-(2-Fluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 165997509
1-(Cyclopropylcarbonyl)piperidine-4-carboxylic acid
CID 8902915

Frequently Asked Questions

What is the IUPAC name of 4-fluoropiperidine-1,4-dicarboxylic acid?
The IUPAC name of 4-fluoropiperidine-1,4-dicarboxylic acid (CID 90919667) is 4-fluoropiperidine-1,4-dicarboxylic acid.
What is the SMILES notation for 4-fluoropiperidine-1,4-dicarboxylic acid?
The canonical SMILES for 4-fluoropiperidine-1,4-dicarboxylic acid is O=C(O)N1CCC(F)(C(=O)O)CC1.
What is the InChIKey of 4-fluoropiperidine-1,4-dicarboxylic acid?
The InChIKey is UJEDUDPNZYSQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO4/c8-7(5(10)11)1-3-9(4-2-7)6(12)13/h1-4H2,(H,10,11)(H,12,13).
What are the key properties of 4-fluoropiperidine-1,4-dicarboxylic acid?
4-fluoropiperidine-1,4-dicarboxylic acid has a molecular weight of 191.16 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoropiperidine-1,4-dicarboxylic acid is sourced from PubChem (CID 90919667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).