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

C18H17F3N2O3 — CID 46499619

IUPACmethyl 4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2c(F)c(F)nc(N3CCCCC3)c2F)cc1
InChIInChI=1S/C18H17F3N2O3/c1-25-18(24)11-5-7-12(8-6-11)26-15-13(19)16(21)22-17(14(15)20)23-9-3-2-4-10-23/h5-8H,2-4,9-10H2,1H3
InChIKeySYUUJXSGUPEVNQ-UHFFFAOYSA-N
MW366.34 g/mol
LogP4.07
Rot. Bonds4

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

methyl 4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate (PubChem CID 46499619) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is methyl 4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate
PubChem CID46499619
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Namemethyl 4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2c(F)c(F)nc(N3CCCCC3)c2F)cc1
InChIInChI=1S/C18H17F3N2O3/c1-25-18(24)11-5-7-12(8-6-11)26-15-13(19)16(21)22-17(14(15)20)23-9-3-2-4-10-23/h5-8H,2-4,9-10H2,1H3
InChIKeySYUUJXSGUPEVNQ-UHFFFAOYSA-N
XLogP4.07
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 54.07
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

1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl 4-methoxybenzenecarboxylate
CID 1486944
Methyl 2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate
CID 6620818
[2-(4-Ethoxyphenyl)-2-oxoethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 16279350
1-[4-[3-(4-Pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]propan-1-one
CID 155519671
1-[4-[3-(4-Pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone
CID 155561504
Methyl 4-[(2,3,5-trifluoro-6-morpholin-4-ylpyridin-4-yl)oxy]benzoate
CID 2055301
[1-(4-Ethoxyphenyl)-1-oxopropan-2-yl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 16282191
2-((4-Fluoro-2-methylphenoxy)methyl)-6-morpholinoisonicotinic acid
CID 44138035
Ethyl 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxylate
CID 44592172
1-[4-[4-(4-Pyridin-2-ylpiperazin-1-yl)butoxy]phenyl]propan-1-one
CID 155530764
Methyl 4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate
CID 4191863
4-[3,5,6-Trifluoro-4-(4-methylphenoxy)-2-pyridinyl]morpholine
CID 3649932

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate?
The IUPAC name of methyl 4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate (CID 46499619) is methyl 4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate.
What is the SMILES notation for methyl 4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate?
The canonical SMILES for methyl 4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate is COC(=O)c1ccc(Oc2c(F)c(F)nc(N3CCCCC3)c2F)cc1.
What is the InChIKey of methyl 4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate?
The InChIKey is SYUUJXSGUPEVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-25-18(24)11-5-7-12(8-6-11)26-15-13(19)16(21)22-17(14(15)20)23-9-3-2-4-10-23/h5-8H,2-4,9-10H2,1H3.
What are the key properties of methyl 4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate?
methyl 4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate has a molecular weight of 366.34 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]benzoate is sourced from PubChem (CID 46499619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).