[4-(3-methoxy-2-pyridinyl)piperidin-1-yl] 2,2,2-trifluoroacetate

C13H15F3N2O3 — CID 118108096

IUPAC[4-(3-methoxy-2-pyridinyl)piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESCOc1cccnc1C1CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H15F3N2O3/c1-20-10-3-2-6-17-11(10)9-4-7-18(8-5-9)21-12(19)13(14,15)16/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyQPXNGWIUJYAGID-UHFFFAOYSA-N
MW304.27 g/mol
LogP2.29
Rot. Bonds3

About [4-(3-methoxy-2-pyridinyl)piperidin-1-yl] 2,2,2-trifluoroacetate

[4-(3-methoxy-2-pyridinyl)piperidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 118108096) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is [4-(3-methoxy-2-pyridinyl)piperidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-(3-methoxy-2-pyridinyl)piperidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID118108096
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name[4-(3-methoxy-2-pyridinyl)piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESCOc1cccnc1C1CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H15F3N2O3/c1-20-10-3-2-6-17-11(10)9-4-7-18(8-5-9)21-12(19)13(14,15)16/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyQPXNGWIUJYAGID-UHFFFAOYSA-N
XLogP2.29
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methoxyphenyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 170306056
[4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174667909
1-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-2-methylpropan-1-one
CID 176811840
ethyl 4-[[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]methyl]piperidine-1-carboxylate
CID 155518790
2-(azetidin-3-yl)-3-methoxypyridine
CID 130160263
[4-(2-methylimidazol-1-yl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 146272858
3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine
CID 163345314
2-(3-methoxy-2-pyridinyl)cycloheptane-1-carboxylic acid
CID 114054225
[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 110116964
[4-[1-(2-methoxyethyl)-4-methylpyrazol-5-yl]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 171506292
(3R)-1-[8-chloro-2-(1-fluorocyclobutyl)-4-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol
CID 118617904
(2-methoxyphenyl) 2,2,2-trifluoroacetate
CID 613204

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxy-2-pyridinyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-(3-methoxy-2-pyridinyl)piperidin-1-yl] 2,2,2-trifluoroacetate (CID 118108096) is [4-(3-methoxy-2-pyridinyl)piperidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-(3-methoxy-2-pyridinyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-(3-methoxy-2-pyridinyl)piperidin-1-yl] 2,2,2-trifluoroacetate is COc1cccnc1C1CCN(OC(=O)C(F)(F)F)CC1.
What is the InChIKey of [4-(3-methoxy-2-pyridinyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is QPXNGWIUJYAGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-20-10-3-2-6-17-11(10)9-4-7-18(8-5-9)21-12(19)13(14,15)16/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of [4-(3-methoxy-2-pyridinyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
[4-(3-methoxy-2-pyridinyl)piperidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 304.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxy-2-pyridinyl)piperidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 118108096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).