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

C18H20F3N3O2 — CID 10094031

IUPAC1-[6-(2-phenoxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCNCC2)nc1OCCOc1ccccc1
InChIInChI=1S/C18H20F3N3O2/c19-18(20,21)15-6-7-16(24-10-8-22-9-11-24)23-17(15)26-13-12-25-14-4-2-1-3-5-14/h1-7,22H,8-13H2
InChIKeyCWMFJKDGYIOIEP-UHFFFAOYSA-N
MW367.37 g/mol
LogP2.97
Rot. Bonds6

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

1-[6-(2-phenoxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 10094031) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 1-[6-(2-phenoxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[6-(2-phenoxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID10094031
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name1-[6-(2-phenoxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCNCC2)nc1OCCOc1ccccc1
InChIInChI=1S/C18H20F3N3O2/c19-18(20,21)15-6-7-16(24-10-8-22-9-11-24)23-17(15)26-13-12-25-14-4-2-1-3-5-14/h1-7,22H,8-13H2
InChIKeyCWMFJKDGYIOIEP-UHFFFAOYSA-N
XLogP2.97
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.97
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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Related Compounds

1-[6-[(2,3-difluorophenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 11743581
(2R)-2-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 10454284
1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 11725490
1-(6-phenoxy-2-pyridinyl)piperazine
CID 18186800
1-[5-(1,1-difluoroethyl)-6-methyl-2-pyridinyl]piperazine
CID 162549104
2-[2-(4-chlorophenoxy)ethoxy]-3-piperazin-1-ylquinoxaline
CID 22036291
1-(3-phenoxypropyl)piperazine
CID 2760351
1-[5-[3-(4-fluorophenoxy)prop-1-ynyl]-2-pyridinyl]piperazine;2-(trifluoromethyl)benzaldehyde
CID 87581227
N-phenyl-3-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]aniline
CID 22036521
4-piperazin-1-yl-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid;2-(trifluoromethyl)pyrimidine
CID 87767979
1-[3-(phenoxymethyl)-2-pyridinyl]piperazine
CID 72550146
N-(4-phenoxyphenyl)-6-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-amine
CID 166538822

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-phenoxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[6-(2-phenoxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 10094031) is 1-[6-(2-phenoxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[6-(2-phenoxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[6-(2-phenoxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine is FC(F)(F)c1ccc(N2CCNCC2)nc1OCCOc1ccccc1.
What is the InChIKey of 1-[6-(2-phenoxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is CWMFJKDGYIOIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c19-18(20,21)15-6-7-16(24-10-8-22-9-11-24)23-17(15)26-13-12-25-14-4-2-1-3-5-14/h1-7,22H,8-13H2.
What are the key properties of 1-[6-(2-phenoxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[6-(2-phenoxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 367.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-phenoxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 10094031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).