1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid

C14H16FNO3 — CID 16782194

IUPAC1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H16FNO3/c15-12-5-3-10(4-6-12)8-13(17)16-7-1-2-11(9-16)14(18)19/h3-6,11H,1-2,7-9H2,(H,18,19)
InChIKeyISRBHDOSFNPUED-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.69
Rot. Bonds3

About 1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid

1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid (PubChem CID 16782194) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid
PubChem CID16782194
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H16FNO3/c15-12-5-3-10(4-6-12)8-13(17)16-7-1-2-11(9-16)14(18)19/h3-6,11H,1-2,7-9H2,(H,18,19)
InChIKeyISRBHDOSFNPUED-UHFFFAOYSA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid (CID 16782194) is 1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is ISRBHDOSFNPUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-12-5-3-10(4-6-12)8-13(17)16-7-1-2-11(9-16)14(18)19/h3-6,11H,1-2,7-9H2,(H,18,19).
What are the key properties of 1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid?
1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 16782194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).