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

C22H22F3N3O2 — CID 10480146

IUPAC1-[6-(2-naphthalen-2-yloxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCNCC2)nc1OCCOc1ccc2ccccc2c1
InChIInChI=1S/C22H22F3N3O2/c23-22(24,25)19-7-8-20(28-11-9-26-10-12-28)27-21(19)30-14-13-29-18-6-5-16-3-1-2-4-17(16)15-18/h1-8,15,26H,9-14H2
InChIKeyLGUCZURKPZRUKT-UHFFFAOYSA-N
MW417.43 g/mol
LogP4.12
Rot. Bonds6

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

1-[6-(2-naphthalen-2-yloxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 10480146) has the molecular formula C22H22F3N3O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is 1-[6-(2-naphthalen-2-yloxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[6-(2-naphthalen-2-yloxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID10480146
Molecular FormulaC22H22F3N3O2
Molecular Weight417.43 g/mol
Exact Mass417.17
IUPAC Name1-[6-(2-naphthalen-2-yloxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCNCC2)nc1OCCOc1ccc2ccccc2c1
InChIInChI=1S/C22H22F3N3O2/c23-22(24,25)19-7-8-20(28-11-9-26-10-12-28)27-21(19)30-14-13-29-18-6-5-16-3-1-2-4-17(16)15-18/h1-8,15,26H,9-14H2
InChIKeyLGUCZURKPZRUKT-UHFFFAOYSA-N
XLogP4.12
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-naphthalen-2-yloxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[6-(2-naphthalen-2-yloxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 10480146) is 1-[6-(2-naphthalen-2-yloxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[6-(2-naphthalen-2-yloxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[6-(2-naphthalen-2-yloxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine is FC(F)(F)c1ccc(N2CCNCC2)nc1OCCOc1ccc2ccccc2c1.
What is the InChIKey of 1-[6-(2-naphthalen-2-yloxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is LGUCZURKPZRUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O2/c23-22(24,25)19-7-8-20(28-11-9-26-10-12-28)27-21(19)30-14-13-29-18-6-5-16-3-1-2-4-17(16)15-18/h1-8,15,26H,9-14H2.
What are the key properties of 1-[6-(2-naphthalen-2-yloxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[6-(2-naphthalen-2-yloxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 417.43 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-naphthalen-2-yloxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 10480146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).