2-piperidin-4-ylethyl 2,2,2-trifluoroacetate

C9H14F3NO2 — CID 159322408

IUPAC2-piperidin-4-ylethyl 2,2,2-trifluoroacetate
SMILESO=C(OCCC1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)8(14)15-6-3-7-1-4-13-5-2-7/h7,13H,1-6H2
InChIKeyLDXWUNIKEIBQPZ-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.48
Rot. Bonds3

About 2-piperidin-4-ylethyl 2,2,2-trifluoroacetate

2-piperidin-4-ylethyl 2,2,2-trifluoroacetate (PubChem CID 159322408) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-piperidin-4-ylethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-piperidin-4-ylethyl 2,2,2-trifluoroacetate
PubChem CID159322408
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2-piperidin-4-ylethyl 2,2,2-trifluoroacetate
SMILESO=C(OCCC1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)8(14)15-6-3-7-1-4-13-5-2-7/h7,13H,1-6H2
InChIKeyLDXWUNIKEIBQPZ-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

2-piperidin-4-ylethyl propanoate
CID 53408774
2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate
CID 174748022
2-(2,5-dioxocyclopentyl)ethyl 2,2,2-trifluoroacetate
CID 162563546
2-piperidin-4-ylethyl butanoate
CID 174737441
4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid
CID 175797428
(3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 172762354
2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate
CID 174656912
2-piperidin-4-ylethyl hydrogen sulfite
CID 174455298
4-[4-(2,2,2-trifluoroacetyl)oxybutoxy]butyl 2,2,2-trifluoroacetate
CID 91692720
ethyl 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetate
CID 83212988
2-(1,4-diazepan-1-yl)ethyl 2,2,2-trifluoroacetate
CID 91047530
diethyl 2-(2-piperidin-4-ylethyl)propanedioate
CID 57155204

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-piperidin-4-ylethyl 2,2,2-trifluoroacetate (CID 159322408) is 2-piperidin-4-ylethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-piperidin-4-ylethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-piperidin-4-ylethyl 2,2,2-trifluoroacetate is O=C(OCCC1CCNCC1)C(F)(F)F.
What is the InChIKey of 2-piperidin-4-ylethyl 2,2,2-trifluoroacetate?
The InChIKey is LDXWUNIKEIBQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)8(14)15-6-3-7-1-4-13-5-2-7/h7,13H,1-6H2.
What are the key properties of 2-piperidin-4-ylethyl 2,2,2-trifluoroacetate?
2-piperidin-4-ylethyl 2,2,2-trifluoroacetate 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-piperidin-4-ylethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 159322408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).