2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl 4-methylpiperazine-1-carboxylate

C12H22F3N3O2 — CID 515565

IUPAC2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl 4-methylpiperazine-1-carboxylate
SMILESCCN(CCOC(=O)N1CCN(C)CC1)CC(F)(F)F
InChIInChI=1S/C12H22F3N3O2/c1-3-17(10-12(13,14)15)8-9-20-11(19)18-6-4-16(2)5-7-18/h3-10H2,1-2H3
InChIKeyAICHRLCXTRRIRZ-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.25
Rot. Bonds5

About 2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl 4-methylpiperazine-1-carboxylate

2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl 4-methylpiperazine-1-carboxylate (PubChem CID 515565) has the molecular formula C12H22F3N3O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl 4-methylpiperazine-1-carboxylate
PubChem CID515565
Molecular FormulaC12H22F3N3O2
Molecular Weight297.32 g/mol
Exact Mass297.17
IUPAC Name2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl 4-methylpiperazine-1-carboxylate
SMILESCCN(CCOC(=O)N1CCN(C)CC1)CC(F)(F)F
InChIInChI=1S/C12H22F3N3O2/c1-3-17(10-12(13,14)15)8-9-20-11(19)18-6-4-16(2)5-7-18/h3-10H2,1-2H3
InChIKeyAICHRLCXTRRIRZ-UHFFFAOYSA-N
XLogP1.25
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester
CID 199462
2,2,2-Trifluoroethyl morpholine-4-carboxylate
CID 16227146
2-Diethylaminoethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate
CID 515548
2-(4-Methylpiperazin-1-yl)ethyl 3,3-difluoropiperidine-1-carboxylate
CID 172435326
2,2,2-Trifluoroethyl 4-methylpiperazine-1-carboxylate
CID 9207799
2-Diethylaminoethyl 4-ethylpiperazine-1-carboxylate
CID 515542
2-Diethylaminoethyl 4-isopropylpiperazine-1-carboxylate
CID 515543
2-Diethylaminoethyl 4-butylpiperazine-1-carboxylate
CID 515545
2-Diethylaminoethyl 4-formylpiperazine-1-carboxylate
CID 515554
2-Dimethylaminoethyl 4-methylpiperazine-1-carboxylate
CID 515558
2-(Diisopropylamino)ethyl 4-methylpiperazine-1-carboxylate
CID 515559
2-(2-Diethylaminoethyloxy)ethyl 4-methylpiperazine-1-carboxylate
CID 515579

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl 4-methylpiperazine-1-carboxylate?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl 4-methylpiperazine-1-carboxylate (CID 515565) is 2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl 4-methylpiperazine-1-carboxylate?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl 4-methylpiperazine-1-carboxylate is CCN(CCOC(=O)N1CCN(C)CC1)CC(F)(F)F.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl 4-methylpiperazine-1-carboxylate?
The InChIKey is AICHRLCXTRRIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O2/c1-3-17(10-12(13,14)15)8-9-20-11(19)18-6-4-16(2)5-7-18/h3-10H2,1-2H3.
What are the key properties of 2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl 4-methylpiperazine-1-carboxylate?
2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl 4-methylpiperazine-1-carboxylate has a molecular weight of 297.32 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 515565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).