[2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone

C17H15F4N3O — CID 120735841

IUPAC[2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cn1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C17H15F4N3O/c18-13-3-1-2-11(8-13)15-10-22-6-7-24(15)16(25)14-5-4-12(9-23-14)17(19,20)21/h1-5,8-9,15,22H,6-7,10H2
InChIKeyOZIYIFDVFSTEHG-UHFFFAOYSA-N
MW353.32 g/mol
LogP3.03
Rot. Bonds2

About [2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone

[2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 120735841) has the molecular formula C17H15F4N3O and a molecular weight of 353.32 g/mol. Its IUPAC name is [2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID120735841
Molecular FormulaC17H15F4N3O
Molecular Weight353.32 g/mol
Exact Mass353.12
IUPAC Name[2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cn1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C17H15F4N3O/c18-13-3-1-2-11(8-13)15-10-22-6-7-24(15)16(25)14-5-4-12(9-23-14)17(19,20)21/h1-5,8-9,15,22H,6-7,10H2
InChIKeyOZIYIFDVFSTEHG-UHFFFAOYSA-N
XLogP3.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 120737504
[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 120802965
[2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 120736320
(5-tert-butyl-1H-pyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735632
[2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 120735469
(3-aminopyrazin-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120737871
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
2,2,3,3-tetrafluoro-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one
CID 120736628
(5-cyclopropyl-1-methylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737538
[2-(3-fluorophenyl)piperazin-1-yl]-(2-piperidin-1-ylpyrimidin-4-yl)methanone;dihydrochloride
CID 120735828
(1-tert-butyl-5-methylpyrazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120735677
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone (CID 120735841) is [2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for [2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for [2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)cn1)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is OZIYIFDVFSTEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3O/c18-13-3-1-2-11(8-13)15-10-22-6-7-24(15)16(25)14-5-4-12(9-23-14)17(19,20)21/h1-5,8-9,15,22H,6-7,10H2.
What are the key properties of [2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone?
[2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 353.32 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 120735841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).