2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine

C13H17F3N2O — CID 75917771

IUPAC2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine
SMILESCCOC1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C13H17F3N2O/c1-2-19-11-4-3-7-18(9-11)12-6-5-10(8-17-12)13(14,15)16/h5-6,8,11H,2-4,7,9H2,1H3
InChIKeyWIXFEEMJOOCPTI-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.11
Rot. Bonds3

About 2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine

2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine (PubChem CID 75917771) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine
PubChem CID75917771
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine
SMILESCCOC1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C13H17F3N2O/c1-2-19-11-4-3-7-18(9-11)12-6-5-10(8-17-12)13(14,15)16/h5-6,8,11H,2-4,7,9H2,1H3
InChIKeyWIXFEEMJOOCPTI-UHFFFAOYSA-N
XLogP3.11
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 4737359
N-[[6-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62287146
2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine
CID 63761657
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597
2-chloro-4-(3-ethoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 114562432
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
5-methoxy-2-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxypyrimidine
CID 163345898
1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea
CID 95714073
N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62592662
1-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]imidazolidin-2-one
CID 95590464
5-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-4-carboxylic acid
CID 114919432

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine (CID 75917771) is 2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine is CCOC1CCCN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is WIXFEEMJOOCPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-2-19-11-4-3-7-18(9-11)12-6-5-10(8-17-12)13(14,15)16/h5-6,8,11H,2-4,7,9H2,1H3.
What are the key properties of 2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine?
2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 274.29 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 75917771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).