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

C18H20F3N3O — CID 10024596

IUPAC1-[6-(1-phenylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCC(Oc1nc(N2CCNCC2)ccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H20F3N3O/c1-13(14-5-3-2-4-6-14)25-17-15(18(19,20)21)7-8-16(23-17)24-11-9-22-10-12-24/h2-8,13,22H,9-12H2,1H3
InChIKeyJDBDRBLDOHFQGQ-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.65
Rot. Bonds4

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

1-[6-(1-phenylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 10024596) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-[6-(1-phenylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[6-(1-phenylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID10024596
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name1-[6-(1-phenylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCC(Oc1nc(N2CCNCC2)ccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H20F3N3O/c1-13(14-5-3-2-4-6-14)25-17-15(18(19,20)21)7-8-16(23-17)24-11-9-22-10-12-24/h2-8,13,22H,9-12H2,1H3
InChIKeyJDBDRBLDOHFQGQ-UHFFFAOYSA-N
XLogP3.65
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-phenylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[6-(1-phenylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 10024596) is 1-[6-(1-phenylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[6-(1-phenylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[6-(1-phenylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine is CC(Oc1nc(N2CCNCC2)ccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of 1-[6-(1-phenylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is JDBDRBLDOHFQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-13(14-5-3-2-4-6-14)25-17-15(18(19,20)21)7-8-16(23-17)24-11-9-22-10-12-24/h2-8,13,22H,9-12H2,1H3.
What are the key properties of 1-[6-(1-phenylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[6-(1-phenylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 351.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-phenylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 10024596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).