1-ethyl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine

C12H19F3N2 — CID 166844073

IUPAC1-ethyl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine
SMILESC=C(N1CCN(CC)CC1)C1(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2/c1-3-16-6-8-17(9-7-16)10(2)11(4-5-11)12(13,14)15/h2-9H2,1H3
InChIKeyLTTQTMJZYBPNFO-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.48
Rot. Bonds3

About 1-ethyl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine

1-ethyl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine (PubChem CID 166844073) has the molecular formula C12H19F3N2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-ethyl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine
PubChem CID166844073
Molecular FormulaC12H19F3N2
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC Name1-ethyl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine
SMILESC=C(N1CCN(CC)CC1)C1(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2/c1-3-16-6-8-17(9-7-16)10(2)11(4-5-11)12(13,14)15/h2-9H2,1H3
InChIKeyLTTQTMJZYBPNFO-UHFFFAOYSA-N
XLogP2.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine?
The IUPAC name of 1-ethyl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine (CID 166844073) is 1-ethyl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine?
The canonical SMILES for 1-ethyl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine is C=C(N1CCN(CC)CC1)C1(C(F)(F)F)CC1.
What is the InChIKey of 1-ethyl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine?
The InChIKey is LTTQTMJZYBPNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2/c1-3-16-6-8-17(9-7-16)10(2)11(4-5-11)12(13,14)15/h2-9H2,1H3.
What are the key properties of 1-ethyl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine?
1-ethyl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine has a molecular weight of 248.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperazine is sourced from PubChem (CID 166844073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).