1-(2-fluoro-4-pyridinyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine

C17H17F4N3O — CID 175651707

IUPAC1-(2-fluoro-4-pyridinyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFc1cc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)ccn1
InChIInChI=1S/C17H17F4N3O/c18-16-11-14(5-6-22-16)24-9-7-23(8-10-24)12-13-1-3-15(4-2-13)25-17(19,20)21/h1-6,11H,7-10,12H2
InChIKeySEAQOEAORHAZML-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.44
Rot. Bonds4

About 1-(2-fluoro-4-pyridinyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine

1-(2-fluoro-4-pyridinyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine (PubChem CID 175651707) has the molecular formula C17H17F4N3O and a molecular weight of 355.34 g/mol. Its IUPAC name is 1-(2-fluoro-4-pyridinyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-fluoro-4-pyridinyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
PubChem CID175651707
Molecular FormulaC17H17F4N3O
Molecular Weight355.34 g/mol
Exact Mass355.13
IUPAC Name1-(2-fluoro-4-pyridinyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFc1cc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)ccn1
InChIInChI=1S/C17H17F4N3O/c18-16-11-14(5-6-22-16)24-9-7-23(8-10-24)12-13-1-3-15(4-2-13)25-17(19,20)21/h1-6,11H,7-10,12H2
InChIKeySEAQOEAORHAZML-UHFFFAOYSA-N
XLogP3.44
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpiperazin-1-yl)-4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 166605484
4-methyl-6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine
CID 146088403
2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol
CID 23081158
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone
CID 35161586
2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetonitrile
CID 51078356
1-(2-ethoxyphenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 2845250
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3867916
1-(2-fluoro-4-pyridinyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 171999750
1-(3-methyl-5-nitroimidazol-4-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 34059892
2-cyclopropyl-5-[[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 171999804
1-(4-pyridin-2-ylpiperazin-1-yl)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 55598245
4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide
CID 133313581

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-pyridinyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-(2-fluoro-4-pyridinyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine (CID 175651707) is 1-(2-fluoro-4-pyridinyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-(2-fluoro-4-pyridinyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-(2-fluoro-4-pyridinyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine is Fc1cc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)ccn1.
What is the InChIKey of 1-(2-fluoro-4-pyridinyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The InChIKey is SEAQOEAORHAZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N3O/c18-16-11-14(5-6-22-16)24-9-7-23(8-10-24)12-13-1-3-15(4-2-13)25-17(19,20)21/h1-6,11H,7-10,12H2.
What are the key properties of 1-(2-fluoro-4-pyridinyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine?
1-(2-fluoro-4-pyridinyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine has a molecular weight of 355.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-pyridinyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 175651707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).