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

C12H18F3N3 — CID 106780431

IUPAC2-[(1-ethylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine
SMILESCCn1ccnc1CC1CC(C(F)(F)F)CCN1
InChIInChI=1S/C12H18F3N3/c1-2-18-6-5-17-11(18)8-10-7-9(3-4-16-10)12(13,14)15/h5-6,9-10,16H,2-4,7-8H2,1H3
InChIKeyRPTJAZWJTMVUEY-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.38
Rot. Bonds3

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

2-[(1-ethylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine (PubChem CID 106780431) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine
PubChem CID106780431
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name2-[(1-ethylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine
SMILESCCn1ccnc1CC1CC(C(F)(F)F)CCN1
InChIInChI=1S/C12H18F3N3/c1-2-18-6-5-17-11(18)8-10-7-9(3-4-16-10)12(13,14)15/h5-6,9-10,16H,2-4,7-8H2,1H3
InChIKeyRPTJAZWJTMVUEY-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine
CID 106780517
2-[(1-ethylimidazol-2-yl)methyl]-6-methylpiperidine
CID 106780433
2-[(3,4-dimethylphenyl)methyl]-4-(trifluoromethyl)piperidine
CID 106778077
2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 105115224
2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 81014583
2-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64955897
3-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidine
CID 114510622
3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79762047
1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81025168
1-(1-ethylimidazol-2-yl)-4-piperidin-2-ylbutan-2-one
CID 116563565
3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 79762054
[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81010089

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine (CID 106780431) is 2-[(1-ethylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine is CCn1ccnc1CC1CC(C(F)(F)F)CCN1.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine?
The InChIKey is RPTJAZWJTMVUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-2-18-6-5-17-11(18)8-10-7-9(3-4-16-10)12(13,14)15/h5-6,9-10,16H,2-4,7-8H2,1H3.
What are the key properties of 2-[(1-ethylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine?
2-[(1-ethylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine has a molecular weight of 261.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 106780431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).