4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidine

C16H17F4N3 — CID 89442792

IUPAC4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidine
SMILESCn1c(-c2ccc(F)c(C(F)(F)F)c2)cnc1C1CCNCC1
InChIInChI=1S/C16H17F4N3/c1-23-14(9-22-15(23)10-4-6-21-7-5-10)11-2-3-13(17)12(8-11)16(18,19)20/h2-3,8-10,21H,4-7H2,1H3
InChIKeyWXNYHFBZQIZHTN-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.71
Rot. Bonds2

About 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidine

4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidine (PubChem CID 89442792) has the molecular formula C16H17F4N3 and a molecular weight of 327.33 g/mol. Its IUPAC name is 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidine
PubChem CID89442792
Molecular FormulaC16H17F4N3
Molecular Weight327.33 g/mol
Exact Mass327.14
IUPAC Name4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidine
SMILESCn1c(-c2ccc(F)c(C(F)(F)F)c2)cnc1C1CCNCC1
InChIInChI=1S/C16H17F4N3/c1-23-14(9-22-15(23)10-4-6-21-7-5-10)11-2-3-13(17)12(8-11)16(18,19)20/h2-3,8-10,21H,4-7H2,1H3
InChIKeyWXNYHFBZQIZHTN-UHFFFAOYSA-N
XLogP3.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidine?
The IUPAC name of 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidine (CID 89442792) is 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidine.
What is the SMILES notation for 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidine?
The canonical SMILES for 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidine is Cn1c(-c2ccc(F)c(C(F)(F)F)c2)cnc1C1CCNCC1.
What is the InChIKey of 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidine?
The InChIKey is WXNYHFBZQIZHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4N3/c1-23-14(9-22-15(23)10-4-6-21-7-5-10)11-2-3-13(17)12(8-11)16(18,19)20/h2-3,8-10,21H,4-7H2,1H3.
What are the key properties of 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidine?
4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidine has a molecular weight of 327.33 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidine is sourced from PubChem (CID 89442792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).