4-[2-(2-methylimidazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine

C19H24F3N3 — CID 74244860

IUPAC4-[2-(2-methylimidazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCc1nccn1CCC1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H24F3N3/c1-15-23-8-12-25(15)11-7-16-5-9-24(10-6-16)14-17-3-2-4-18(13-17)19(20,21)22/h2-4,8,12-13,16H,5-7,9-11,14H2,1H3
InChIKeyJBQIJOSLLVYUGE-UHFFFAOYSA-N
MW351.42 g/mol
LogP4.51
Rot. Bonds5

About 4-[2-(2-methylimidazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine

4-[2-(2-methylimidazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 74244860) has the molecular formula C19H24F3N3 and a molecular weight of 351.42 g/mol. Its IUPAC name is 4-[2-(2-methylimidazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[2-(2-methylimidazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID74244860
Molecular FormulaC19H24F3N3
Molecular Weight351.42 g/mol
Exact Mass351.19
IUPAC Name4-[2-(2-methylimidazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCc1nccn1CCC1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H24F3N3/c1-15-23-8-12-25(15)11-7-16-5-9-24(10-6-16)14-17-3-2-4-18(13-17)19(20,21)22/h2-4,8,12-13,16H,5-7,9-11,14H2,1H3
InChIKeyJBQIJOSLLVYUGE-UHFFFAOYSA-N
XLogP4.51
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylimidazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-[2-(2-methylimidazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine (CID 74244860) is 4-[2-(2-methylimidazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[2-(2-methylimidazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-[2-(2-methylimidazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine is Cc1nccn1CCC1CCN(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[2-(2-methylimidazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is JBQIJOSLLVYUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3/c1-15-23-8-12-25(15)11-7-16-5-9-24(10-6-16)14-17-3-2-4-18(13-17)19(20,21)22/h2-4,8,12-13,16H,5-7,9-11,14H2,1H3.
What are the key properties of 4-[2-(2-methylimidazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
4-[2-(2-methylimidazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 351.42 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylimidazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 74244860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).