4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine

C18H24F3NO — CID 58771948

IUPAC4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine
SMILESCc1ccc(C(F)(F)F)cc1C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C18H24F3NO/c1-13-2-3-15(18(19,20)21)12-17(13)14-4-8-22(9-5-14)16-6-10-23-11-7-16/h2-3,12,14,16H,4-11H2,1H3
InChIKeyXQDYWSGFQGLLME-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.37
Rot. Bonds2

About 4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine

4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine (PubChem CID 58771948) has the molecular formula C18H24F3NO and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine
PubChem CID58771948
Molecular FormulaC18H24F3NO
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine
SMILESCc1ccc(C(F)(F)F)cc1C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C18H24F3NO/c1-13-2-3-15(18(19,20)21)12-17(13)14-4-8-22(9-5-14)16-6-10-23-11-7-16/h2-3,12,14,16H,4-11H2,1H3
InChIKeyXQDYWSGFQGLLME-UHFFFAOYSA-N
XLogP4.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

US11214540, Example 6
CID 142475158
US11214540, Example 4
CID 142475238
US11214540, Example 1
CID 155139233
N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine
CID 153338521
US11214540, Example 21
CID 142475107
US11214540, Example 9
CID 142475187
US11214540, Example 37
CID 142475235
US11214540, Example 15
CID 142475296
US11214540, Example 44
CID 142475328
US11214540, Example 40
CID 142475345
US11214540, Example 34
CID 142475431
US11214540, Example 3
CID 142475195

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine?
The IUPAC name of 4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine (CID 58771948) is 4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine.
What is the SMILES notation for 4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine?
The canonical SMILES for 4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine is Cc1ccc(C(F)(F)F)cc1C1CCN(C2CCOCC2)CC1.
What is the InChIKey of 4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine?
The InChIKey is XQDYWSGFQGLLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO/c1-13-2-3-15(18(19,20)21)12-17(13)14-4-8-22(9-5-14)16-6-10-23-11-7-16/h2-3,12,14,16H,4-11H2,1H3.
What are the key properties of 4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine?
4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine has a molecular weight of 327.39 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-(trifluoromethyl)phenyl]-1-(oxan-4-yl)piperidine is sourced from PubChem (CID 58771948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).