2,3,5,6-tetrafluoro-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine

C18H18F4N2O — CID 133371798

IUPAC2,3,5,6-tetrafluoro-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine
SMILESFc1nc(F)c(F)c(N2CCC(OCCc3ccccc3)CC2)c1F
InChIInChI=1S/C18H18F4N2O/c19-14-16(15(20)18(22)23-17(14)21)24-9-6-13(7-10-24)25-11-8-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyYROAYWJYMBEPQF-UHFFFAOYSA-N
MW354.35 g/mol
LogP3.87
Rot. Bonds5

About 2,3,5,6-tetrafluoro-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine

2,3,5,6-tetrafluoro-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine (PubChem CID 133371798) has the molecular formula C18H18F4N2O and a molecular weight of 354.35 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine
PubChem CID133371798
Molecular FormulaC18H18F4N2O
Molecular Weight354.35 g/mol
Exact Mass354.14
IUPAC Name2,3,5,6-tetrafluoro-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine
SMILESFc1nc(F)c(F)c(N2CCC(OCCc3ccccc3)CC2)c1F
InChIInChI=1S/C18H18F4N2O/c19-14-16(15(20)18(22)23-17(14)21)24-9-6-13(7-10-24)25-11-8-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyYROAYWJYMBEPQF-UHFFFAOYSA-N
XLogP3.87
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(2-phenylethoxy)piperidine
CID 18722996
2-cyclobutyloxyethylbenzene
CID 54003575
2-methyl-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine
CID 133464611
4-phenyl-1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]butan-1-one
CID 133371959
5,6-dimethyl-3-[4-(2-phenylethoxy)piperidin-1-yl]pyridazine-4-carbonitrile
CID 56820781
2,3,5,6-tetrafluoro-4-(3-methoxypyrrolidin-1-yl)pyridine
CID 103536626
(2S)-2-[4-(2-phenylethoxy)piperidin-1-yl]butanoic acid
CID 124623051
(2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one
CID 119299189
1-morpholin-4-yl-3-[4-(2-phenylethoxy)piperidin-1-yl]propan-2-ol
CID 110908286
2-(4-phenylmethoxypiperidin-1-yl)pyrimidine
CID 95811444
2,3,5,6-tetrafluoro-N-(1-phenylpiperidin-4-yl)pyridin-4-amine
CID 133371653
(4-fluoro-1H-indol-2-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone
CID 71884116

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine (CID 133371798) is 2,3,5,6-tetrafluoro-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine is Fc1nc(F)c(F)c(N2CCC(OCCc3ccccc3)CC2)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine?
The InChIKey is YROAYWJYMBEPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O/c19-14-16(15(20)18(22)23-17(14)21)24-9-6-13(7-10-24)25-11-8-12-4-2-1-3-5-12/h1-5,13H,6-11H2.
What are the key properties of 2,3,5,6-tetrafluoro-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine?
2,3,5,6-tetrafluoro-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine has a molecular weight of 354.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine is sourced from PubChem (CID 133371798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).