methyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate

C13H15F3N2O2 — CID 115538400

IUPACmethyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H15F3N2O2/c1-20-12(19)9-4-3-7-18(8-9)11-6-2-5-10(17-11)13(14,15)16/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyCMJXIUPYSBXWAR-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.49
Rot. Bonds2

About methyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate

methyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate (PubChem CID 115538400) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is methyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
PubChem CID115538400
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Namemethyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H15F3N2O2/c1-20-12(19)9-4-3-7-18(8-9)11-6-2-5-10(17-11)13(14,15)16/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyCMJXIUPYSBXWAR-UHFFFAOYSA-N
XLogP2.49
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(6-methoxy-2-pyridinyl)piperidine-3-carboxylate
CID 113331246
methyl 2-methyl-2-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanoate
CID 133444594
morpholin-4-yl-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 155975820
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
2-(3-bromopiperidin-1-yl)-6-(trifluoromethyl)pyridine
CID 80672529
methyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylate
CID 112731125
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
3-ethylsulfanyl-1-[6-(trifluoromethyl)-2-pyridinyl]azepane
CID 133311270
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482
(2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 120965085
1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 608445
N-[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]adamantane-1-carboxamide
CID 147857261

Frequently Asked Questions

What is the IUPAC name of methyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate (CID 115538400) is methyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate is COC(=O)C1CCCN(c2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of methyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate?
The InChIKey is CMJXIUPYSBXWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-20-12(19)9-4-3-7-18(8-9)11-6-2-5-10(17-11)13(14,15)16/h2,5-6,9H,3-4,7-8H2,1H3.
What are the key properties of methyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate?
methyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate has a molecular weight of 288.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate is sourced from PubChem (CID 115538400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).