(2R)-2-(4-fluorophenyl)-4-oxopiperidine-1-carboxylic acid

C12H12FNO3 — CID 21029364

IUPAC(2R)-2-(4-fluorophenyl)-4-oxopiperidine-1-carboxylic acid
SMILESO=C1CCN(C(=O)O)[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C12H12FNO3/c13-9-3-1-8(2-4-9)11-7-10(15)5-6-14(11)12(16)17/h1-4,11H,5-7H2,(H,16,17)/t11-/m1/s1
InChIKeyHECSVZNGXWEOPJ-LLVKDONJSA-N
MW237.23 g/mol
LogP2.21
Rot. Bonds1

About (2R)-2-(4-fluorophenyl)-4-oxopiperidine-1-carboxylic acid

(2R)-2-(4-fluorophenyl)-4-oxopiperidine-1-carboxylic acid (PubChem CID 21029364) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-4-oxopiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-4-oxopiperidine-1-carboxylic acid
PubChem CID21029364
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name(2R)-2-(4-fluorophenyl)-4-oxopiperidine-1-carboxylic acid
SMILESO=C1CCN(C(=O)O)[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C12H12FNO3/c13-9-3-1-8(2-4-9)11-7-10(15)5-6-14(11)12(16)17/h1-4,11H,5-7H2,(H,16,17)/t11-/m1/s1
InChIKeyHECSVZNGXWEOPJ-LLVKDONJSA-N
XLogP2.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-4-oxopiperidine-1-carboxylic acid?
The IUPAC name of (2R)-2-(4-fluorophenyl)-4-oxopiperidine-1-carboxylic acid (CID 21029364) is (2R)-2-(4-fluorophenyl)-4-oxopiperidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-4-oxopiperidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-4-oxopiperidine-1-carboxylic acid is O=C1CCN(C(=O)O)[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-4-oxopiperidine-1-carboxylic acid?
The InChIKey is HECSVZNGXWEOPJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-9-3-1-8(2-4-9)11-7-10(15)5-6-14(11)12(16)17/h1-4,11H,5-7H2,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-4-oxopiperidine-1-carboxylic acid?
(2R)-2-(4-fluorophenyl)-4-oxopiperidine-1-carboxylic acid has a molecular weight of 237.23 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-4-oxopiperidine-1-carboxylic acid is sourced from PubChem (CID 21029364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).