ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate

C9H15F3N2O2 — CID 60705337

IUPACethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c1-2-16-8(15)14-5-3-13(4-6-14)7-9(10,11)12/h2-7H2,1H3
InChIKeyGBTAIYZVLACJSE-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.32
Rot. Bonds2

About ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate

ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate (PubChem CID 60705337) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate
PubChem CID60705337
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Nameethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c1-2-16-8(15)14-5-3-13(4-6-14)7-9(10,11)12/h2-7H2,1H3
InChIKeyGBTAIYZVLACJSE-UHFFFAOYSA-N
XLogP1.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Piperazinedicarboxylic acid, diethyl ester
CID 79615
1-Piperazinecarboxylic acid, 4-methyl-, ethyl ester, hydrochloride
CID 68285
1-Piperazinecarboxylic acid, 4-ethyl-, ethyl ester, hydrochloride
CID 116093
Ethyl 4-methylpiperazine-1-carboxylate
CID 68286
1-Piperazinecarboxylic acid, 4-(2-(diethylamino)ethyl)-, ethyl ester, hydrochloride
CID 212382
1-Piperazinecarboxylic acid, 4-(2-(dimethylamino)ethyl)-, ethyl ester, hydrochloride
CID 212394
2-Diethylaminoethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate
CID 515548
2-[Ethyl(2,2,2-trifluoroethyl)amino]ethyl 4-methylpiperazine-1-carboxylate
CID 515565
Tert-butyl 4-(trifluoromethyl)piperazine-1-carboxylate
CID 78357991
2,2,2-Trifluoroethyl 4-methylpiperazine-1-carboxylate
CID 9207799
2-fluoroethyl (3S,5R)-4-ethyl-3,5-dimethylpiperazine-1-carboxylate
CID 132313021
Methyl 4-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 78900437

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate (CID 60705337) is ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate?
The InChIKey is GBTAIYZVLACJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-2-16-8(15)14-5-3-13(4-6-14)7-9(10,11)12/h2-7H2,1H3.
What are the key properties of ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate?
ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate has a molecular weight of 240.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate is sourced from PubChem (CID 60705337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).