2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one

C9H16F3N3O — CID 61260522

IUPAC2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H16F3N3O/c1-7(13)8(16)15-4-2-14(3-5-15)6-9(10,11)12/h7H,2-6,13H2,1H3
InChIKeyNURIZXFAUMZGSQ-UHFFFAOYSA-N
MW239.24 g/mol
LogP0.04
Rot. Bonds2

About 2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one

2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one (PubChem CID 61260522) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
PubChem CID61260522
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H16F3N3O/c1-7(13)8(16)15-4-2-14(3-5-15)6-9(10,11)12/h7H,2-6,13H2,1H3
InChIKeyNURIZXFAUMZGSQ-UHFFFAOYSA-N
XLogP0.04
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 120502681
(2S)-2-amino-4-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one
CID 61259797
(2S)-2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119838358
3-amino-2-methyl-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]butan-1-one;dihydrochloride
CID 120502825
2-amino-3-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 81088519
[(2S)-1-oxo-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-yl]carbamic acid
CID 174209880
2-amino-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one
CID 59935068
3-methyl-2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]butanenitrile
CID 62968827
2-(aminomethyl)-4,4-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one
CID 107471862
ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 143483059
2-(aminomethyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one
CID 62968051
2-amino-5-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one
CID 81088625

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one (CID 61260522) is 2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one is CC(N)C(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one?
The InChIKey is NURIZXFAUMZGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c1-7(13)8(16)15-4-2-14(3-5-15)6-9(10,11)12/h7H,2-6,13H2,1H3.
What are the key properties of 2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one?
2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one has a molecular weight of 239.24 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 61260522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).