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

C13H24F3N3O2 — CID 515548

IUPAC2-(diethylamino)ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate
SMILESCCN(CC)CCOC(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O2/c1-3-17(4-2)9-10-21-12(20)19-7-5-18(6-8-19)11-13(14,15)16/h3-11H2,1-2H3
InChIKeyYIQPDHHZBKTPIU-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.64
Rot. Bonds6

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

2-(diethylamino)ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate (PubChem CID 515548) has the molecular formula C13H24F3N3O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate
PubChem CID515548
Molecular FormulaC13H24F3N3O2
Molecular Weight311.35 g/mol
Exact Mass311.18
IUPAC Name2-(diethylamino)ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate
SMILESCCN(CC)CCOC(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O2/c1-3-17(4-2)9-10-21-12(20)19-7-5-18(6-8-19)11-13(14,15)16/h3-11H2,1-2H3
InChIKeyYIQPDHHZBKTPIU-UHFFFAOYSA-N
XLogP1.64
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.64
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-[Ethyl(2,2,2-trifluoroethyl)amino]ethyl 4-methylpiperazine-1-carboxylate
CID 515565
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-(diethylamino)ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate (CID 515548) is 2-(diethylamino)ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate is CCN(CC)CCOC(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-(diethylamino)ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate?
The InChIKey is YIQPDHHZBKTPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O2/c1-3-17(4-2)9-10-21-12(20)19-7-5-18(6-8-19)11-13(14,15)16/h3-11H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate?
2-(diethylamino)ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate has a molecular weight of 311.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate is sourced from PubChem (CID 515548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).