(4-phenylpiperidin-1-yl) 2,2,2-trifluoroacetate

C13H14F3NO2 — CID 57289962

IUPAC(4-phenylpiperidin-1-yl) 2,2,2-trifluoroacetate
SMILESO=C(ON1CCC(c2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)12(18)19-17-8-6-11(7-9-17)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyIVSQJSIWIZNIPF-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.89
Rot. Bonds2

About (4-phenylpiperidin-1-yl) 2,2,2-trifluoroacetate

(4-phenylpiperidin-1-yl) 2,2,2-trifluoroacetate (PubChem CID 57289962) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is (4-phenylpiperidin-1-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(4-phenylpiperidin-1-yl) 2,2,2-trifluoroacetate
PubChem CID57289962
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name(4-phenylpiperidin-1-yl) 2,2,2-trifluoroacetate
SMILESO=C(ON1CCC(c2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)12(18)19-17-8-6-11(7-9-17)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyIVSQJSIWIZNIPF-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperidin-1-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (4-phenylpiperidin-1-yl) 2,2,2-trifluoroacetate (CID 57289962) is (4-phenylpiperidin-1-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (4-phenylpiperidin-1-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (4-phenylpiperidin-1-yl) 2,2,2-trifluoroacetate is O=C(ON1CCC(c2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of (4-phenylpiperidin-1-yl) 2,2,2-trifluoroacetate?
The InChIKey is IVSQJSIWIZNIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)12(18)19-17-8-6-11(7-9-17)10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of (4-phenylpiperidin-1-yl) 2,2,2-trifluoroacetate?
(4-phenylpiperidin-1-yl) 2,2,2-trifluoroacetate has a molecular weight of 273.25 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperidin-1-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 57289962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).