2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

C12H20F3N3O — CID 61364492

IUPAC2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CCCN1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O/c13-12(14,15)9-17-4-6-18(7-5-17)11(19)8-10-2-1-3-16-10/h10,16H,1-9H2
InChIKeyKMEIEZKKLQZHGX-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.83
Rot. Bonds3

About 2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (PubChem CID 61364492) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
PubChem CID61364492
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC Name2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CCCN1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O/c13-12(14,15)9-17-4-6-18(7-5-17)11(19)8-10-2-1-3-16-10/h10,16H,1-9H2
InChIKeyKMEIEZKKLQZHGX-UHFFFAOYSA-N
XLogP0.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrolidin-2-yl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone
CID 119752121
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119834001
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119860173
1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 55142508
2,2-dimethyl-1-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119708849
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930
2-pyrrolidin-2-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
CID 119898449
1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119887210
N,N-diethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide
CID 119837520
N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 119785684
2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride
CID 119705182

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (CID 61364492) is 2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is O=C(CC1CCCN1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The InChIKey is KMEIEZKKLQZHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c13-12(14,15)9-17-4-6-18(7-5-17)11(19)8-10-2-1-3-16-10/h10,16H,1-9H2.
What are the key properties of 2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone has a molecular weight of 279.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 61364492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).