3-[ethyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylpropan-1-one

C11H20F3N3O — CID 55085623

IUPAC3-[ethyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESCCN(CCC(=O)N1CCNCC1)CC(F)(F)F
InChIInChI=1S/C11H20F3N3O/c1-2-16(9-11(12,13)14)6-3-10(18)17-7-4-15-5-8-17/h15H,2-9H2,1H3
InChIKeyYPSBKILFTVSYGC-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.69
Rot. Bonds5

About 3-[ethyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylpropan-1-one

3-[ethyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylpropan-1-one (PubChem CID 55085623) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[ethyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[ethyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylpropan-1-one
PubChem CID55085623
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name3-[ethyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESCCN(CCC(=O)N1CCNCC1)CC(F)(F)F
InChIInChI=1S/C11H20F3N3O/c1-2-16(9-11(12,13)14)6-3-10(18)17-7-4-15-5-8-17/h15H,2-9H2,1H3
InChIKeyYPSBKILFTVSYGC-UHFFFAOYSA-N
XLogP0.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dipropylamino)-1-piperazin-1-ylpropan-1-one
CID 39255849
1-(1,4-diazepan-1-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010945
N-[2-(diethylamino)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)methanesulfonamide;2,2,2-trifluoroacetic acid
CID 163335907
2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915085
3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 82960429
3-[(2,6-difluorophenyl)methyl-ethylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981439
3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980297
3-[(3,4-dichlorophenyl)methyl-ethylamino]-1-piperazin-1-ylpropan-1-one
CID 120981153
2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915067
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
1-[ethyl(2,2,2-trifluoroethyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65450385
3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981536

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylpropan-1-one (CID 55085623) is 3-[ethyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[ethyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[ethyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylpropan-1-one is CCN(CCC(=O)N1CCNCC1)CC(F)(F)F.
What is the InChIKey of 3-[ethyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylpropan-1-one?
The InChIKey is YPSBKILFTVSYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-2-16(9-11(12,13)14)6-3-10(18)17-7-4-15-5-8-17/h15H,2-9H2,1H3.
What are the key properties of 3-[ethyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylpropan-1-one?
3-[ethyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylpropan-1-one has a molecular weight of 267.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 55085623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).