2-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine

C11H16F3N3 — CID 106780517

IUPAC2-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine
SMILESCn1ccnc1CC1CC(C(F)(F)F)CCN1
InChIInChI=1S/C11H16F3N3/c1-17-5-4-16-10(17)7-9-6-8(2-3-15-9)11(12,13)14/h4-5,8-9,15H,2-3,6-7H2,1H3
InChIKeyBILOZJHRDUEZSZ-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.89
Rot. Bonds2

About 2-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine

2-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine (PubChem CID 106780517) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine
PubChem CID106780517
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name2-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine
SMILESCn1ccnc1CC1CC(C(F)(F)F)CCN1
InChIInChI=1S/C11H16F3N3/c1-17-5-4-16-10(17)7-9-6-8(2-3-15-9)11(12,13)14/h4-5,8-9,15H,2-3,6-7H2,1H3
InChIKeyBILOZJHRDUEZSZ-UHFFFAOYSA-N
XLogP1.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine
CID 106780431
1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride
CID 71298900
1-methyl-3-[(1-methylimidazol-2-yl)methyl]piperazine
CID 83443620
2-[(3,4-dimethylphenyl)methyl]-4-(trifluoromethyl)piperidine
CID 106778077
2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
CID 105113600
2-(1-methylimidazol-2-yl)-5-(trifluoromethyl)piperidine
CID 106779136
3-[2-fluoro-1-(1-methylimidazol-2-yl)propan-2-yl]piperidine
CID 112564988
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 94939254
N-methyl-2-(1-methylimidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106635225
2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105167192
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine
CID 102775975
2-(fluoromethyl)-1-methylimidazole
CID 11679811

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 2-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine (CID 106780517) is 2-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine is Cn1ccnc1CC1CC(C(F)(F)F)CCN1.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine?
The InChIKey is BILOZJHRDUEZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-17-5-4-16-10(17)7-9-6-8(2-3-15-9)11(12,13)14/h4-5,8-9,15H,2-3,6-7H2,1H3.
What are the key properties of 2-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine?
2-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine has a molecular weight of 247.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 106780517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).