1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine

C13H18F3N3O — CID 133369766

IUPAC1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCOCCN1CCN(c2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C13H18F3N3O/c1-20-9-8-18-4-6-19(7-5-18)12-10-11(2-3-17-12)13(14,15)16/h2-3,10H,4-9H2,1H3
InChIKeyRMADOEPLUXTOOM-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.87
Rot. Bonds4

About 1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine

1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 133369766) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID133369766
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCOCCN1CCN(c2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C13H18F3N3O/c1-20-9-8-18-4-6-19(7-5-18)12-10-11(2-3-17-12)13(14,15)16/h2-3,10H,4-9H2,1H3
InChIKeyRMADOEPLUXTOOM-UHFFFAOYSA-N
XLogP1.87
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine (CID 133369766) is 1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine is COCCN1CCN(c2cc(C(F)(F)F)ccn2)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is RMADOEPLUXTOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-20-9-8-18-4-6-19(7-5-18)12-10-11(2-3-17-12)13(14,15)16/h2-3,10H,4-9H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine?
1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 289.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 133369766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).