3-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine

C11H19F3N2O — CID 64832412

IUPAC3-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESFC(F)(F)COCCN1CCNC(C2CC2)C1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-17-6-5-16-4-3-15-10(7-16)9-1-2-9/h9-10,15H,1-8H2
InChIKeyZGYCUXAXAPLQGK-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.25
Rot. Bonds5

About 3-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine

3-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (PubChem CID 64832412) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.

Molecular Properties

Compound Name3-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
PubChem CID64832412
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name3-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESFC(F)(F)COCCN1CCNC(C2CC2)C1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-17-6-5-16-4-3-15-10(7-16)9-1-2-9/h9-10,15H,1-8H2
InChIKeyZGYCUXAXAPLQGK-UHFFFAOYSA-N
XLogP1.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.25
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

4-{[(2S)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]methyl}morpholine
CID 124052744
1-[2-(Trifluoromethoxy)ethyl]piperidin-3-amine
CID 65805892
(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-amine
CID 102985273
2,2,4,4,5,5,5-heptafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 159783182
4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butan-1-amine
CID 160816876
2,2,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 160816878
3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane
CID 169133997
(3R)-1-[2-(difluoromethoxy)ethyl]piperidin-3-amine
CID 169153936
1-piperidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 54960405
1-N,1-N,3-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]butane-1,2-diamine
CID 54962069
1-N,1-N,4-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentane-1,2-diamine
CID 54963578
2-piperidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 54967278

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The IUPAC name of 3-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (CID 64832412) is 3-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.
What is the SMILES notation for 3-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The canonical SMILES for 3-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is FC(F)(F)COCCN1CCNC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The InChIKey is ZGYCUXAXAPLQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)8-17-6-5-16-4-3-15-10(7-16)9-1-2-9/h9-10,15H,1-8H2.
What are the key properties of 3-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
3-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine has a molecular weight of 252.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is sourced from PubChem (CID 64832412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).