1-[6-(2-cyclopentylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine

C17H24F3N3O — CID 10341113

IUPAC1-[6-(2-cyclopentylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCNCC2)nc1OCCC1CCCC1
InChIInChI=1S/C17H24F3N3O/c18-17(19,20)14-5-6-15(23-10-8-21-9-11-23)22-16(14)24-12-7-13-3-1-2-4-13/h5-6,13,21H,1-4,7-12H2
InChIKeyISXKGCKVAMMYCG-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.47
Rot. Bonds5

About 1-[6-(2-cyclopentylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine

1-[6-(2-cyclopentylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 10341113) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[6-(2-cyclopentylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[6-(2-cyclopentylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID10341113
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC Name1-[6-(2-cyclopentylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCNCC2)nc1OCCC1CCCC1
InChIInChI=1S/C17H24F3N3O/c18-17(19,20)14-5-6-15(23-10-8-21-9-11-23)22-16(14)24-12-7-13-3-1-2-4-13/h5-6,13,21H,1-4,7-12H2
InChIKeyISXKGCKVAMMYCG-UHFFFAOYSA-N
XLogP3.47
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-cyclopentylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[6-(2-cyclopentylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 10341113) is 1-[6-(2-cyclopentylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[6-(2-cyclopentylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[6-(2-cyclopentylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine is FC(F)(F)c1ccc(N2CCNCC2)nc1OCCC1CCCC1.
What is the InChIKey of 1-[6-(2-cyclopentylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is ISXKGCKVAMMYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O/c18-17(19,20)14-5-6-15(23-10-8-21-9-11-23)22-16(14)24-12-7-13-3-1-2-4-13/h5-6,13,21H,1-4,7-12H2.
What are the key properties of 1-[6-(2-cyclopentylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[6-(2-cyclopentylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 343.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-cyclopentylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 10341113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).