1-(2,3-dimethylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride

C10H18ClF3N2O2 — CID 120572583

IUPAC1-(2,3-dimethylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride
SMILESCC1NCCN(C(=O)COCC(F)(F)F)C1C.Cl
InChIInChI=1S/C10H17F3N2O2.ClH/c1-7-8(2)15(4-3-14-7)9(16)5-17-6-10(11,12)13;/h7-8,14H,3-6H2,1-2H3;1H
InChIKeyBDYWYCGNTKVMDF-UHFFFAOYSA-N
MW290.71 g/mol
LogP1.20
Rot. Bonds3

About 1-(2,3-dimethylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride

1-(2,3-dimethylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride (PubChem CID 120572583) has the molecular formula C10H18ClF3N2O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dimethylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride
PubChem CID120572583
Molecular FormulaC10H18ClF3N2O2
Molecular Weight290.71 g/mol
Exact Mass290.10
IUPAC Name1-(2,3-dimethylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride
SMILESCC1NCCN(C(=O)COCC(F)(F)F)C1C.Cl
InChIInChI=1S/C10H17F3N2O2.ClH/c1-7-8(2)15(4-3-14-7)9(16)5-17-6-10(11,12)13;/h7-8,14H,3-6H2,1-2H3;1H
InChIKeyBDYWYCGNTKVMDF-UHFFFAOYSA-N
XLogP1.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylpiperazin-1-yl)-2-prop-2-enoxyethanone
CID 120571061
1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 120571561
1-(3-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103806956
1-(2,3-dimethylpiperazin-1-yl)-4-methoxybutan-1-one;hydrochloride
CID 120570561
3-cyclohexyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120570290
2,3-dimethylpiperazine-1-carboxylic acid
CID 126753910
1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 120572097
2-(cyclopropylmethylamino)-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 122081276
2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride
CID 120572102
N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 120573186
5-(2,3-dimethylpiperazin-1-yl)-N,N-diethyl-5-oxopentanamide;hydrochloride
CID 120571955
3-butylsulfanyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120569467

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride?
The IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride (CID 120572583) is 1-(2,3-dimethylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride.
What is the SMILES notation for 1-(2,3-dimethylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride?
The canonical SMILES for 1-(2,3-dimethylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride is CC1NCCN(C(=O)COCC(F)(F)F)C1C.Cl.
What is the InChIKey of 1-(2,3-dimethylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride?
The InChIKey is BDYWYCGNTKVMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2.ClH/c1-7-8(2)15(4-3-14-7)9(16)5-17-6-10(11,12)13;/h7-8,14H,3-6H2,1-2H3;1H.
What are the key properties of 1-(2,3-dimethylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride?
1-(2,3-dimethylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride has a molecular weight of 290.71 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride is sourced from PubChem (CID 120572583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).