2,2,2-trifluoroethyl 2-piperidin-3-ylacetate

C9H14F3NO2 — CID 102548856

IUPAC2,2,2-trifluoroethyl 2-piperidin-3-ylacetate
SMILESO=C(CC1CCCNC1)OCC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)6-15-8(14)4-7-2-1-3-13-5-7/h7,13H,1-6H2
InChIKeyUGBHFOWBTIOKRK-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.48
Rot. Bonds3

About 2,2,2-trifluoroethyl 2-piperidin-3-ylacetate

2,2,2-trifluoroethyl 2-piperidin-3-ylacetate (PubChem CID 102548856) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-piperidin-3-ylacetate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-piperidin-3-ylacetate
PubChem CID102548856
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2,2,2-trifluoroethyl 2-piperidin-3-ylacetate
SMILESO=C(CC1CCCNC1)OCC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)6-15-8(14)4-7-2-1-3-13-5-7/h7,13H,1-6H2
InChIKeyUGBHFOWBTIOKRK-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
2-ethoxyethyl 2-piperidin-3-ylacetate
CID 62690313
cyclobutyl 2-piperidin-3-ylacetate
CID 62690484
2-propoxyethyl 2-piperidin-3-ylacetate
CID 63686889
N-(piperidin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113265453
ethyl 2-(azocan-5-yl)acetate
CID 123423074
(2-fluorophenyl)methyl 2-piperidin-3-ylacetate
CID 63932202
3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]piperidine
CID 55064528
[(3R)-piperidin-3-yl]methyl trifluoromethanesulfonate
CID 98057079
butan-2-yl 2-piperidin-3-ylacetate
CID 62690309
2-(piperidin-3-ylmethylamino)ethyl carbamate
CID 83211184

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2-piperidin-3-ylacetate?
The IUPAC name of 2,2,2-trifluoroethyl 2-piperidin-3-ylacetate (CID 102548856) is 2,2,2-trifluoroethyl 2-piperidin-3-ylacetate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-piperidin-3-ylacetate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-piperidin-3-ylacetate is O=C(CC1CCCNC1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl 2-piperidin-3-ylacetate?
The InChIKey is UGBHFOWBTIOKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)6-15-8(14)4-7-2-1-3-13-5-7/h7,13H,1-6H2.
What are the key properties of 2,2,2-trifluoroethyl 2-piperidin-3-ylacetate?
2,2,2-trifluoroethyl 2-piperidin-3-ylacetate has a molecular weight of 225.21 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-piperidin-3-ylacetate is sourced from PubChem (CID 102548856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).