1-methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine

C9H16F3NO — CID 58450218

IUPAC1-methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
SMILESCOC(C1CCN(C)CC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-13-5-3-7(4-6-13)8(14-2)9(10,11)12/h7-8H,3-6H2,1-2H3
InChIKeyJIZGHUUFRVDRIE-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.91
Rot. Bonds2

About 1-methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine

1-methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine (PubChem CID 58450218) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
PubChem CID58450218
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
SMILESCOC(C1CCN(C)CC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-13-5-3-7(4-6-13)8(14-2)9(10,11)12/h7-8H,3-6H2,1-2H3
InChIKeyJIZGHUUFRVDRIE-UHFFFAOYSA-N
XLogP1.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine 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

4-(2,2-Difluoro-1-methoxyethyl)piperidine hydrochloride
CID 167736904
1-Methyl-4-(4,4,4-trifluorobutoxy)piperidine
CID 18722979
1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine
CID 18731746
4-[Ethoxy(difluoro)methyl]-1-ethylpiperidine
CID 20723957
4-Fluoro-4-(methoxymethyl)-1-methylpiperidine
CID 57580403
4-Fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine
CID 58303633
1-Ethyl-4-fluoro-4-(propan-2-yloxymethyl)piperidine
CID 58303663
4-Fluoro-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine
CID 58365091
Methyl 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine-1-carboxylate
CID 58450249
1-[4-(2,2,2-Trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone
CID 58450278
4-(2,2,2-Trifluoro-1-methoxyethyl)piperidine
CID 58450384
1-[2-(1,1,1-Trifluoro-3-methylbutan-2-yl)oxyethyl]piperidine
CID 59203952

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine?
The IUPAC name of 1-methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine (CID 58450218) is 1-methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine.
What is the SMILES notation for 1-methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine?
The canonical SMILES for 1-methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine is COC(C1CCN(C)CC1)C(F)(F)F.
What is the InChIKey of 1-methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine?
The InChIKey is JIZGHUUFRVDRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-13-5-3-7(4-6-13)8(14-2)9(10,11)12/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine?
1-methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine has a molecular weight of 211.23 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine is sourced from PubChem (CID 58450218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).