ethyl 2,4-dimethyl-6-(trifluoromethyl)piperazine-1-carboxylate

C10H17F3N2O2 — CID 167149190

IUPACethyl 2,4-dimethyl-6-(trifluoromethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1C(C)CN(C)CC1C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-4-17-9(16)15-7(2)5-14(3)6-8(15)10(11,12)13/h7-8H,4-6H2,1-3H3
InChIKeyQNFUXJMKJUDAFG-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.71
Rot. Bonds1

About ethyl 2,4-dimethyl-6-(trifluoromethyl)piperazine-1-carboxylate

ethyl 2,4-dimethyl-6-(trifluoromethyl)piperazine-1-carboxylate (PubChem CID 167149190) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is ethyl 2,4-dimethyl-6-(trifluoromethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-6-(trifluoromethyl)piperazine-1-carboxylate
PubChem CID167149190
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Nameethyl 2,4-dimethyl-6-(trifluoromethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1C(C)CN(C)CC1C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-4-17-9(16)15-7(2)5-14(3)6-8(15)10(11,12)13/h7-8H,4-6H2,1-3H3
InChIKeyQNFUXJMKJUDAFG-UHFFFAOYSA-N
XLogP1.71
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2,6-dimethylpiperazine-1,4-dicarboxylate
CID 121013120
ethyl (2R)-2-methylaziridine-1-carboxylate
CID 129364107
ethyl (3S)-1-methyl-3-(trifluoromethyl)piperidine-4-carboxylate
CID 163219476
ethyl (3R,5R)-3,5-dimethylmorpholine-4-carboxylate
CID 13414046
2,4-dimethyl-1-propan-2-yl-6-(trifluoromethyl)piperazine
CID 176871806
ethyl N-[1-methyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 112543642
ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate
CID 59334005
ethyl (3S)-3-(trifluoromethyl)piperazine-1-carboxylate
CID 86337014
1-O-tert-butyl 3-O-ethyl (3R,4R)-4-(trifluoromethyl)pyrrolidine-1,3-dicarboxylate
CID 89456899
ethyl N-(1-methylpyrrolidin-3-yl)carbamate
CID 61355543
ethyl 1-methylpyrrolidine-3-carboxylate
CID 21202735
ethyl (1S,4R)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 11062780

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethyl-6-(trifluoromethyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 2,4-dimethyl-6-(trifluoromethyl)piperazine-1-carboxylate (CID 167149190) is ethyl 2,4-dimethyl-6-(trifluoromethyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethyl-6-(trifluoromethyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 2,4-dimethyl-6-(trifluoromethyl)piperazine-1-carboxylate is CCOC(=O)N1C(C)CN(C)CC1C(F)(F)F.
What is the InChIKey of ethyl 2,4-dimethyl-6-(trifluoromethyl)piperazine-1-carboxylate?
The InChIKey is QNFUXJMKJUDAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-4-17-9(16)15-7(2)5-14(3)6-8(15)10(11,12)13/h7-8H,4-6H2,1-3H3.
What are the key properties of ethyl 2,4-dimethyl-6-(trifluoromethyl)piperazine-1-carboxylate?
ethyl 2,4-dimethyl-6-(trifluoromethyl)piperazine-1-carboxylate has a molecular weight of 254.25 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethyl-6-(trifluoromethyl)piperazine-1-carboxylate is sourced from PubChem (CID 167149190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).