2-[cyclopropyl(piperidin-4-yl)amino]ethyl 2,2,2-trifluoroacetate

C12H19F3N2O2 — CID 126522361

IUPAC2-[cyclopropyl(piperidin-4-yl)amino]ethyl 2,2,2-trifluoroacetate
SMILESO=C(OCCN(C1CCNCC1)C1CC1)C(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)11(18)19-8-7-17(9-1-2-9)10-3-5-16-6-4-10/h9-10,16H,1-8H2
InChIKeyRFLLEHBQAFFAOW-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.31
Rot. Bonds5

About 2-[cyclopropyl(piperidin-4-yl)amino]ethyl 2,2,2-trifluoroacetate

2-[cyclopropyl(piperidin-4-yl)amino]ethyl 2,2,2-trifluoroacetate (PubChem CID 126522361) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-[cyclopropyl(piperidin-4-yl)amino]ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-[cyclopropyl(piperidin-4-yl)amino]ethyl 2,2,2-trifluoroacetate
PubChem CID126522361
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name2-[cyclopropyl(piperidin-4-yl)amino]ethyl 2,2,2-trifluoroacetate
SMILESO=C(OCCN(C1CCNCC1)C1CC1)C(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)11(18)19-8-7-17(9-1-2-9)10-3-5-16-6-4-10/h9-10,16H,1-8H2
InChIKeyRFLLEHBQAFFAOW-UHFFFAOYSA-N
XLogP1.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(4-aminopiperidin-1-yl)acetate; trifluoroacetic acid
CID 146049431
(1-Piperidin-4-ylazetidin-3-yl) 2,2,2-trifluoroacetate
CID 66870381
[(2S)-1-heptylpiperazin-2-yl]methyl 2,2,2-trifluoroacetate
CID 69797551
N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 126511688
N-ethyl-N-(oxetan-3-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 126511752
2-[Cyclopropyl(piperidin-4-yl)amino]ethanol;2,2,2-trifluoroacetic acid
CID 126522359
[2-[(1-Cyclopropylpiperidin-4-yl)amino]-1-hydroxyethyl] 2,2,2-trifluoroacetate
CID 140770999
Fluoro 2,2-difluoro-2-[(4-morpholin-4-ylcyclohexyl)amino]acetate
CID 146316861
1-(2-methoxyethyl)-N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 146455412
ethyl 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]acetate
CID 153362138
(1-Methyl-4-piperidin-4-ylpiperazin-2-yl) 2,2,2-trifluoroacetate
CID 153408588
(4-Piperidin-4-yl-1-propan-2-ylpiperazin-2-yl) 2,2,2-trifluoroacetate
CID 153408590

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(piperidin-4-yl)amino]ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-[cyclopropyl(piperidin-4-yl)amino]ethyl 2,2,2-trifluoroacetate (CID 126522361) is 2-[cyclopropyl(piperidin-4-yl)amino]ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-[cyclopropyl(piperidin-4-yl)amino]ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-[cyclopropyl(piperidin-4-yl)amino]ethyl 2,2,2-trifluoroacetate is O=C(OCCN(C1CCNCC1)C1CC1)C(F)(F)F.
What is the InChIKey of 2-[cyclopropyl(piperidin-4-yl)amino]ethyl 2,2,2-trifluoroacetate?
The InChIKey is RFLLEHBQAFFAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)11(18)19-8-7-17(9-1-2-9)10-3-5-16-6-4-10/h9-10,16H,1-8H2.
What are the key properties of 2-[cyclopropyl(piperidin-4-yl)amino]ethyl 2,2,2-trifluoroacetate?
2-[cyclopropyl(piperidin-4-yl)amino]ethyl 2,2,2-trifluoroacetate has a molecular weight of 280.29 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(piperidin-4-yl)amino]ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 126522361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).