[(2S,4R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-4-yl] acetate

C15H16F3NO3 — CID 11067026

IUPAC[(2S,4R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-4-yl] acetate
SMILESCC(=O)O[C@@H]1CCN(C(=O)C(F)(F)F)[C@H](c2ccccc2)C1
InChIInChI=1S/C15H16F3NO3/c1-10(20)22-12-7-8-19(14(21)15(16,17)18)13(9-12)11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3/t12-,13+/m1/s1
InChIKeyLNTFWXXGSBULTR-OLZOCXBDSA-N
MW315.29 g/mol
LogP2.84
Rot. Bonds2

About [(2S,4R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-4-yl] acetate

[(2S,4R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-4-yl] acetate (PubChem CID 11067026) has the molecular formula C15H16F3NO3 and a molecular weight of 315.29 g/mol. Its IUPAC name is [(2S,4R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-4-yl] acetate.

Molecular Properties

Compound Name[(2S,4R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-4-yl] acetate
PubChem CID11067026
Molecular FormulaC15H16F3NO3
Molecular Weight315.29 g/mol
Exact Mass315.11
IUPAC Name[(2S,4R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-4-yl] acetate
SMILESCC(=O)O[C@@H]1CCN(C(=O)C(F)(F)F)[C@H](c2ccccc2)C1
InChIInChI=1S/C15H16F3NO3/c1-10(20)22-12-7-8-19(14(21)15(16,17)18)13(9-12)11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3/t12-,13+/m1/s1
InChIKeyLNTFWXXGSBULTR-OLZOCXBDSA-N
XLogP2.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-4-yl] acetate?
The IUPAC name of [(2S,4R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-4-yl] acetate (CID 11067026) is [(2S,4R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-4-yl] acetate.
What is the SMILES notation for [(2S,4R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-4-yl] acetate?
The canonical SMILES for [(2S,4R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-4-yl] acetate is CC(=O)O[C@@H]1CCN(C(=O)C(F)(F)F)[C@H](c2ccccc2)C1.
What is the InChIKey of [(2S,4R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-4-yl] acetate?
The InChIKey is LNTFWXXGSBULTR-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H16F3NO3/c1-10(20)22-12-7-8-19(14(21)15(16,17)18)13(9-12)11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3/t12-,13+/m1/s1.
What are the key properties of [(2S,4R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-4-yl] acetate?
[(2S,4R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-4-yl] acetate has a molecular weight of 315.29 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-4-yl] acetate is sourced from PubChem (CID 11067026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).