2-(methoxymethyl)-4-methyl-1-propan-2-yl-6-(trifluoromethyl)piperazine

C11H21F3N2O — CID 176871756

IUPAC2-(methoxymethyl)-4-methyl-1-propan-2-yl-6-(trifluoromethyl)piperazine
SMILESCOCC1CN(C)CC(C(F)(F)F)N1C(C)C
InChIInChI=1S/C11H21F3N2O/c1-8(2)16-9(7-17-4)5-15(3)6-10(16)11(12,13)14/h8-10H,5-7H2,1-4H3
InChIKeyNKRUWUUANLLMIE-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.59
Rot. Bonds3

About 2-(methoxymethyl)-4-methyl-1-propan-2-yl-6-(trifluoromethyl)piperazine

2-(methoxymethyl)-4-methyl-1-propan-2-yl-6-(trifluoromethyl)piperazine (PubChem CID 176871756) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methyl-1-propan-2-yl-6-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methyl-1-propan-2-yl-6-(trifluoromethyl)piperazine
PubChem CID176871756
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-(methoxymethyl)-4-methyl-1-propan-2-yl-6-(trifluoromethyl)piperazine
SMILESCOCC1CN(C)CC(C(F)(F)F)N1C(C)C
InChIInChI=1S/C11H21F3N2O/c1-8(2)16-9(7-17-4)5-15(3)6-10(16)11(12,13)14/h8-10H,5-7H2,1-4H3
InChIKeyNKRUWUUANLLMIE-UHFFFAOYSA-N
XLogP1.59
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methoxyethyl)-4-(3-methoxypropyl)-2-methylpiperazine
CID 53597913
2-Ethyl-1-(2-methoxyethyl)-4-(3-methoxypropyl)piperazine
CID 53600163
4-[2-[4-(2,2-Difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]morpholine
CID 75437493
1-Methyl-4-[2-(trifluoromethoxy)ethyl]piperazine
CID 70936734
1-(4-Fluorobutyl)-4-(2-methoxyethyl)piperazine
CID 70970407
1-[(2S)-2-fluoropropyl]-4-(2-methoxyethyl)piperazine
CID 71188956
1-Methyl-4-[3-(trifluoromethoxy)propyl]piperazine
CID 89986350
1-[2-(1,1-Difluoroethoxy)ethyl]-4-methylpiperazine
CID 118403895
1-Propan-2-yl-4-[2-(trifluoromethoxy)ethyl]piperazine
CID 124199559
N-(2-methoxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 126549526
1-(2-Methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 129061189
1-Methyl-4-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]piperazine
CID 130418443

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methyl-1-propan-2-yl-6-(trifluoromethyl)piperazine?
The IUPAC name of 2-(methoxymethyl)-4-methyl-1-propan-2-yl-6-(trifluoromethyl)piperazine (CID 176871756) is 2-(methoxymethyl)-4-methyl-1-propan-2-yl-6-(trifluoromethyl)piperazine.
What is the SMILES notation for 2-(methoxymethyl)-4-methyl-1-propan-2-yl-6-(trifluoromethyl)piperazine?
The canonical SMILES for 2-(methoxymethyl)-4-methyl-1-propan-2-yl-6-(trifluoromethyl)piperazine is COCC1CN(C)CC(C(F)(F)F)N1C(C)C.
What is the InChIKey of 2-(methoxymethyl)-4-methyl-1-propan-2-yl-6-(trifluoromethyl)piperazine?
The InChIKey is NKRUWUUANLLMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-8(2)16-9(7-17-4)5-15(3)6-10(16)11(12,13)14/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-(methoxymethyl)-4-methyl-1-propan-2-yl-6-(trifluoromethyl)piperazine?
2-(methoxymethyl)-4-methyl-1-propan-2-yl-6-(trifluoromethyl)piperazine has a molecular weight of 254.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methyl-1-propan-2-yl-6-(trifluoromethyl)piperazine is sourced from PubChem (CID 176871756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).