[(2R,4R)-2-(4-fluorophenyl)piperidin-4-yl] acetate

C13H16FNO2 — CID 141284032

IUPAC[(2R,4R)-2-(4-fluorophenyl)piperidin-4-yl] acetate
SMILESCC(=O)O[C@@H]1CCN[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO2/c1-9(16)17-12-6-7-15-13(8-12)10-2-4-11(14)5-3-10/h2-5,12-13,15H,6-8H2,1H3/t12-,13-/m1/s1
InChIKeyPLQYPVVHJWSSQU-CHWSQXEVSA-N
MW237.27 g/mol
LogP2.18
Rot. Bonds2

About [(2R,4R)-2-(4-fluorophenyl)piperidin-4-yl] acetate

[(2R,4R)-2-(4-fluorophenyl)piperidin-4-yl] acetate (PubChem CID 141284032) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is [(2R,4R)-2-(4-fluorophenyl)piperidin-4-yl] acetate.

Molecular Properties

Compound Name[(2R,4R)-2-(4-fluorophenyl)piperidin-4-yl] acetate
PubChem CID141284032
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name[(2R,4R)-2-(4-fluorophenyl)piperidin-4-yl] acetate
SMILESCC(=O)O[C@@H]1CCN[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO2/c1-9(16)17-12-6-7-15-13(8-12)10-2-4-11(14)5-3-10/h2-5,12-13,15H,6-8H2,1H3/t12-,13-/m1/s1
InChIKeyPLQYPVVHJWSSQU-CHWSQXEVSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2-(4-fluorophenyl)piperidin-4-yl] acetate?
The IUPAC name of [(2R,4R)-2-(4-fluorophenyl)piperidin-4-yl] acetate (CID 141284032) is [(2R,4R)-2-(4-fluorophenyl)piperidin-4-yl] acetate.
What is the SMILES notation for [(2R,4R)-2-(4-fluorophenyl)piperidin-4-yl] acetate?
The canonical SMILES for [(2R,4R)-2-(4-fluorophenyl)piperidin-4-yl] acetate is CC(=O)O[C@@H]1CCN[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of [(2R,4R)-2-(4-fluorophenyl)piperidin-4-yl] acetate?
The InChIKey is PLQYPVVHJWSSQU-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9(16)17-12-6-7-15-13(8-12)10-2-4-11(14)5-3-10/h2-5,12-13,15H,6-8H2,1H3/t12-,13-/m1/s1.
What are the key properties of [(2R,4R)-2-(4-fluorophenyl)piperidin-4-yl] acetate?
[(2R,4R)-2-(4-fluorophenyl)piperidin-4-yl] acetate has a molecular weight of 237.27 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2-(4-fluorophenyl)piperidin-4-yl] acetate is sourced from PubChem (CID 141284032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).