2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride

C10H19ClF3N3O — CID 119915067

IUPAC2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCN(CCC(F)(F)F)CC(=O)N1CCNCC1.Cl
InChIInChI=1S/C10H18F3N3O.ClH/c1-15(5-2-10(11,12)13)8-9(17)16-6-3-14-4-7-16;/h14H,2-8H2,1H3;1H
InChIKeyWEKDTEFNINUEFB-UHFFFAOYSA-N
MW289.73 g/mol
LogP0.72
Rot. Bonds4

About 2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride

2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride (PubChem CID 119915067) has the molecular formula C10H19ClF3N3O and a molecular weight of 289.73 g/mol. Its IUPAC name is 2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride
PubChem CID119915067
Molecular FormulaC10H19ClF3N3O
Molecular Weight289.73 g/mol
Exact Mass289.12
IUPAC Name2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCN(CCC(F)(F)F)CC(=O)N1CCNCC1.Cl
InChIInChI=1S/C10H18F3N3O.ClH/c1-15(5-2-10(11,12)13)8-9(17)16-6-3-14-4-7-16;/h14H,2-8H2,1H3;1H
InChIKeyWEKDTEFNINUEFB-UHFFFAOYSA-N
XLogP0.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915085
2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 81113401
2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 61325591
2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 172785490
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]butanenitrile
CID 61018157
1-(1,4-diazepan-1-yl)-2-[3-(dimethylamino)propyl-methylamino]ethanone
CID 55226180
N-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54904322
N-ethyl-N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54903788
2-[methyl-[2-(oxolan-3-yl)ethyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 120835931
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 54904152

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride (CID 119915067) is 2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride is CN(CCC(F)(F)F)CC(=O)N1CCNCC1.Cl.
What is the InChIKey of 2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride?
The InChIKey is WEKDTEFNINUEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O.ClH/c1-15(5-2-10(11,12)13)8-9(17)16-6-3-14-4-7-16;/h14H,2-8H2,1H3;1H.
What are the key properties of 2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride?
2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride has a molecular weight of 289.73 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119915067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).