4-[(3-propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)morpholine

C12H18F3N3O — CID 56864764

IUPAC4-[(3-propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)morpholine
SMILESCC(C)n1cncc1CN1CCOC(C(F)(F)F)C1
InChIInChI=1S/C12H18F3N3O/c1-9(2)18-8-16-5-10(18)6-17-3-4-19-11(7-17)12(13,14)15/h5,8-9,11H,3-4,6-7H2,1-2H3
InChIKeyKOQSAKZYUAJCBR-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.23
Rot. Bonds3

About 4-[(3-propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)morpholine

4-[(3-propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)morpholine (PubChem CID 56864764) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-[(3-propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-[(3-propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)morpholine
PubChem CID56864764
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name4-[(3-propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)morpholine
SMILESCC(C)n1cncc1CN1CCOC(C(F)(F)F)C1
InChIInChI=1S/C12H18F3N3O/c1-9(2)18-8-16-5-10(18)6-17-3-4-19-11(7-17)12(13,14)15/h5,8-9,11H,3-4,6-7H2,1-2H3
InChIKeyKOQSAKZYUAJCBR-UHFFFAOYSA-N
XLogP2.23
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(3-propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)morpholine 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

N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine
CID 97471136
N,N-dimethyl-1-[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine
CID 118739392
N-ethyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]ethanamine
CID 118746023
2-[4-[(3-Propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 66153268
1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine
CID 77096665
4-(2-methoxyethoxy)-1-[(1-methyl-1H-imidazol-5-yl)methyl]piperidine
CID 90648579
N-[(1-isopropyl-1H-imidazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine
CID 91776525
(2S)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine
CID 95553389
N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 98323777
N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine
CID 119123822
(2S)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 124753447
(2S)-1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-2-ol
CID 136585887

Frequently Asked Questions

What is the IUPAC name of 4-[(3-propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-[(3-propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)morpholine (CID 56864764) is 4-[(3-propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-[(3-propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-[(3-propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)morpholine is CC(C)n1cncc1CN1CCOC(C(F)(F)F)C1.
What is the InChIKey of 4-[(3-propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)morpholine?
The InChIKey is KOQSAKZYUAJCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-9(2)18-8-16-5-10(18)6-17-3-4-19-11(7-17)12(13,14)15/h5,8-9,11H,3-4,6-7H2,1-2H3.
What are the key properties of 4-[(3-propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)morpholine?
4-[(3-propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)morpholine has a molecular weight of 277.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 56864764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).