1-acetyl-4-fluoropiperidine-4-carboxylic acid

C8H12FNO3 — CID 118218319

IUPAC1-acetyl-4-fluoropiperidine-4-carboxylic acid
SMILESCC(=O)N1CCC(F)(C(=O)O)CC1
InChIInChI=1S/C8H12FNO3/c1-6(11)10-4-2-8(9,3-5-10)7(12)13/h2-5H2,1H3,(H,12,13)
InChIKeySODXWKVGOIPOTN-UHFFFAOYSA-N
MW189.19 g/mol
LogP0.42
Rot. Bonds1

About 1-acetyl-4-fluoropiperidine-4-carboxylic acid

1-acetyl-4-fluoropiperidine-4-carboxylic acid (PubChem CID 118218319) has the molecular formula C8H12FNO3 and a molecular weight of 189.19 g/mol. Its IUPAC name is 1-acetyl-4-fluoropiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-4-fluoropiperidine-4-carboxylic acid
PubChem CID118218319
Molecular FormulaC8H12FNO3
Molecular Weight189.19 g/mol
Exact Mass189.08
IUPAC Name1-acetyl-4-fluoropiperidine-4-carboxylic acid
SMILESCC(=O)N1CCC(F)(C(=O)O)CC1
InChIInChI=1S/C8H12FNO3/c1-6(11)10-4-2-8(9,3-5-10)7(12)13/h2-5H2,1H3,(H,12,13)
InChIKeySODXWKVGOIPOTN-UHFFFAOYSA-N
XLogP0.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-fluoropiperidine-4-carboxylic acid?
The IUPAC name of 1-acetyl-4-fluoropiperidine-4-carboxylic acid (CID 118218319) is 1-acetyl-4-fluoropiperidine-4-carboxylic acid.
What is the SMILES notation for 1-acetyl-4-fluoropiperidine-4-carboxylic acid?
The canonical SMILES for 1-acetyl-4-fluoropiperidine-4-carboxylic acid is CC(=O)N1CCC(F)(C(=O)O)CC1.
What is the InChIKey of 1-acetyl-4-fluoropiperidine-4-carboxylic acid?
The InChIKey is SODXWKVGOIPOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO3/c1-6(11)10-4-2-8(9,3-5-10)7(12)13/h2-5H2,1H3,(H,12,13).
What are the key properties of 1-acetyl-4-fluoropiperidine-4-carboxylic acid?
1-acetyl-4-fluoropiperidine-4-carboxylic acid has a molecular weight of 189.19 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-fluoropiperidine-4-carboxylic acid is sourced from PubChem (CID 118218319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).