1-(2,2-dimethoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine

C10H19F3N2O2 — CID 66223203

IUPAC1-(2,2-dimethoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESCOC(CN1CCN(CC(F)(F)F)CC1)OC
InChIInChI=1S/C10H19F3N2O2/c1-16-9(17-2)7-14-3-5-15(6-4-14)8-10(11,12)13/h9H,3-8H2,1-2H3
InChIKeyWYKLEWAZECGDPW-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.79
Rot. Bonds5

About 1-(2,2-dimethoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine

1-(2,2-dimethoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 66223203) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID66223203
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name1-(2,2-dimethoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESCOC(CN1CCN(CC(F)(F)F)CC1)OC
InChIInChI=1S/C10H19F3N2O2/c1-16-9(17-2)7-14-3-5-15(6-4-14)8-10(11,12)13/h9H,3-8H2,1-2H3
InChIKeyWYKLEWAZECGDPW-UHFFFAOYSA-N
XLogP0.79
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 168904282
methyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate
CID 55141166
2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 43252914
2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]ethanol
CID 66222329
1-methyl-4-(2,2,2-trifluoroethyl)piperazine
CID 23236212
2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-N,N-dimethylethanamine
CID 66222136
2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]acetic acid
CID 56716645
1-(2,2-dimethoxyethyl)piperidin-4-amine
CID 66221486
ethyl 3-hydroxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoate
CID 82768968
1-(azetidin-3-yl)-4-(2,2-dimethoxyethyl)piperazine
CID 81093537
1-[4-(2,2-dimethoxyethyl)-1,4-diazepan-1-yl]ethanone
CID 66221900
2-(propan-2-ylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid
CID 62967934

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(2,2-dimethoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine (CID 66223203) is 1-(2,2-dimethoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine is COC(CN1CCN(CC(F)(F)F)CC1)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is WYKLEWAZECGDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-16-9(17-2)7-14-3-5-15(6-4-14)8-10(11,12)13/h9H,3-8H2,1-2H3.
What are the key properties of 1-(2,2-dimethoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine?
1-(2,2-dimethoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 256.27 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 66223203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).