2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine

C12H16F3N3O — CID 133271291

IUPAC2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine
SMILESCCOC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H16F3N3O/c1-2-19-9-4-7-18(8-5-9)11-16-6-3-10(17-11)12(13,14)15/h3,6,9H,2,4-5,7-8H2,1H3
InChIKeyCCWANTZHSYHJNQ-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.50
Rot. Bonds3

About 2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine

2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine (PubChem CID 133271291) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine
PubChem CID133271291
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine
SMILESCCOC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H16F3N3O/c1-2-19-9-4-7-18(8-5-9)11-16-6-3-10(17-11)12(13,14)15/h3,6,9H,2,4-5,7-8H2,1H3
InChIKeyCCWANTZHSYHJNQ-UHFFFAOYSA-N
XLogP2.50
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 26986145
2-(4-ethoxypiperidin-1-yl)pyrimidine-4-carbonitrile
CID 107543802
N,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 72868639
ethyl 4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 155980463
N-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
CID 48736158
2-ethyl-5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3,4-thiadiazole
CID 163343747
2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 133292848
ethyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate
CID 60725743
2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 154583110
2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 51104267
(3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 133110613
[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid
CID 67365390

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine (CID 133271291) is 2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine is CCOC1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine?
The InChIKey is CCWANTZHSYHJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-2-19-9-4-7-18(8-5-9)11-16-6-3-10(17-11)12(13,14)15/h3,6,9H,2,4-5,7-8H2,1H3.
What are the key properties of 2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine?
2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine has a molecular weight of 275.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 133271291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).