2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid

C10H18F3N3O3 — CID 172785490

IUPAC2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
SMILESCN(C)CC(=O)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17N3O.C2HF3O2/c1-10(2)7-8(12)11-5-3-9-4-6-11;3-2(4,5)1(6)7/h9H,3-7H2,1-2H3;(H,6,7)
InChIKeyOVIFULBGJKJQGY-UHFFFAOYSA-N
MW285.27 g/mol
LogP-0.39
Rot. Bonds2

About 2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid

2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid (PubChem CID 172785490) has the molecular formula C10H18F3N3O3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
PubChem CID172785490
Molecular FormulaC10H18F3N3O3
Molecular Weight285.27 g/mol
Exact Mass285.13
IUPAC Name2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
SMILESCN(C)CC(=O)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17N3O.C2HF3O2/c1-10(2)7-8(12)11-5-3-9-4-6-11;3-2(4,5)1(6)7/h9H,3-7H2,1-2H3;(H,6,7)
InChIKeyOVIFULBGJKJQGY-UHFFFAOYSA-N
XLogP-0.39
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915085
2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915067
2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 61325591
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 81113401
N-[(4-methoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146058528
1-[4-(4-aminophenyl)piperidin-1-yl]-2-(dimethylamino)ethanone;bis(2,2,2-trifluoroacetic acid)
CID 131727836
N-[2-(diethylamino)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)methanesulfonamide;2,2,2-trifluoroacetic acid
CID 163335907
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
CID 43603133
2-amino-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
CID 82511586
1-piperazin-1-ylundec-10-yn-1-one;2,2,2-trifluoroacetic acid
CID 90101929

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid (CID 172785490) is 2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid is CN(C)CC(=O)N1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid?
The InChIKey is OVIFULBGJKJQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O.C2HF3O2/c1-10(2)7-8(12)11-5-3-9-4-6-11;3-2(4,5)1(6)7/h9H,3-7H2,1-2H3;(H,6,7).
What are the key properties of 2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid?
2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid has a molecular weight of 285.27 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172785490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).