ethyl 2-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate

C19H19F3N2O3 — CID 15993466

IUPACethyl 2-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate
SMILESCCOC(=O)c1ccccc1Oc1c(F)c(F)nc(N2CCCCC2)c1F
InChIInChI=1S/C19H19F3N2O3/c1-2-26-19(25)12-8-4-5-9-13(12)27-16-14(20)17(22)23-18(15(16)21)24-10-6-3-7-11-24/h4-5,8-9H,2-3,6-7,10-11H2,1H3
InChIKeyOYCOANDIZNJODR-UHFFFAOYSA-N
MW380.37 g/mol
LogP4.46
Rot. Bonds5

About ethyl 2-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate

ethyl 2-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate (PubChem CID 15993466) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is ethyl 2-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate
PubChem CID15993466
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Nameethyl 2-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate
SMILESCCOC(=O)c1ccccc1Oc1c(F)c(F)nc(N2CCCCC2)c1F
InChIInChI=1S/C19H19F3N2O3/c1-2-26-19(25)12-8-4-5-9-13(12)27-16-14(20)17(22)23-18(15(16)21)24-10-6-3-7-11-24/h4-5,8-9H,2-3,6-7,10-11H2,1H3
InChIKeyOYCOANDIZNJODR-UHFFFAOYSA-N
XLogP4.46
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-Ethoxyphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 4878784
Methyl 2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate
CID 6620818
Ethyl 2-[2,3,5-trifluoro-6-(2-hydroxyethylamino)pyridin-4-yl]oxybenzoate
CID 6620823
(3E)-3-[[6-(dimethylamino)-3-pyridinyl]methylidene]chromen-4-one
CID 127051347
Methyl 4-[(2,3,5-trifluoro-6-morpholin-4-ylpyridin-4-yl)oxy]benzoate
CID 2055301
methyl N-(2-ethoxybenzoyl)-N-2-pyridinyl-beta-alaninate
CID 2948564
Ethyl 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxylate
CID 44592172
Methyl 2-{[2,3,5-trifluoro-6-(piperidin-1-YL)pyridin-4-YL]oxy}benzoate
CID 45105931
4-[4-(2-Ethoxybenzoyl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
CID 91631617
Methyl 4-{[2,3,5-trifluoro-6-(piperidin-1-YL)pyridin-4-YL]oxy}benzoate
CID 46499619
6-[(2,4-difluorophenoxy)methyl]-1-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 70667059
Ethyl 2-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate
CID 4520750

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate?
The IUPAC name of ethyl 2-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate (CID 15993466) is ethyl 2-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate.
What is the SMILES notation for ethyl 2-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate?
The canonical SMILES for ethyl 2-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate is CCOC(=O)c1ccccc1Oc1c(F)c(F)nc(N2CCCCC2)c1F.
What is the InChIKey of ethyl 2-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate?
The InChIKey is OYCOANDIZNJODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-2-26-19(25)12-8-4-5-9-13(12)27-16-14(20)17(22)23-18(15(16)21)24-10-6-3-7-11-24/h4-5,8-9H,2-3,6-7,10-11H2,1H3.
What are the key properties of ethyl 2-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate?
ethyl 2-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate has a molecular weight of 380.37 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate is sourced from PubChem (CID 15993466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).