2-ethyl-5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine

C13H25F3N2O — CID 64845197

IUPAC2-ethyl-5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESCCCC1CN(CCOCC(F)(F)F)C(CC)CN1
InChIInChI=1S/C13H25F3N2O/c1-3-5-11-9-18(12(4-2)8-17-11)6-7-19-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyMRXVFTXXUKONGM-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.42
Rot. Bonds7

About 2-ethyl-5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine

2-ethyl-5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (PubChem CID 64845197) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-ethyl-5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.

Molecular Properties

Compound Name2-ethyl-5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
PubChem CID64845197
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name2-ethyl-5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESCCCC1CN(CCOCC(F)(F)F)C(CC)CN1
InChIInChI=1S/C13H25F3N2O/c1-3-5-11-9-18(12(4-2)8-17-11)6-7-19-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyMRXVFTXXUKONGM-UHFFFAOYSA-N
XLogP2.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyethyl)-2-ethyl-5-propylpiperazine
CID 64846765
1-(2-ethoxyethyl)-2,5-dipropylpiperazine
CID 64844595
1-(2-cyclohexyloxyethyl)-2-ethyl-5-propylpiperazine
CID 64942384
1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine
CID 64839963
2-butan-2-yl-5-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64843484
1-(2-but-3-enoxyethyl)-2,5-diethylpiperazine
CID 106409149
1-(2-butoxyethyl)-2-methyl-5-propylpiperazine
CID 64846186
2-ethyl-1-methyl-5-propylpiperazine
CID 64846947
2-ethyl-5-propyl-1-(2,3,3-trimethylbutyl)piperazine
CID 83146417
1-(2-butoxyethyl)-2-cyclopropyl-5-propylpiperazine
CID 64839370
1-(3-fluoropropyl)-2,5-dipropylpiperazine
CID 81114186
5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64841627

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The IUPAC name of 2-ethyl-5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (CID 64845197) is 2-ethyl-5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.
What is the SMILES notation for 2-ethyl-5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The canonical SMILES for 2-ethyl-5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is CCCC1CN(CCOCC(F)(F)F)C(CC)CN1.
What is the InChIKey of 2-ethyl-5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The InChIKey is MRXVFTXXUKONGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-3-5-11-9-18(12(4-2)8-17-11)6-7-19-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 2-ethyl-5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
2-ethyl-5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine has a molecular weight of 282.35 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is sourced from PubChem (CID 64845197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).