4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine

C13H16F3NO — CID 166120324

IUPAC4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine
SMILESCc1ccc(C2CCNCC2)c(OC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c1-9-2-3-11(10-4-6-17-7-5-10)12(8-9)18-13(14,15)16/h2-3,8,10,17H,4-7H2,1H3
InChIKeyWWIKLSMIJFACIP-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.36
Rot. Bonds2

About 4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine

4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine (PubChem CID 166120324) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine.

Molecular Properties

Compound Name4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine
PubChem CID166120324
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine
SMILESCc1ccc(C2CCNCC2)c(OC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c1-9-2-3-11(10-4-6-17-7-5-10)12(8-9)18-13(14,15)16/h2-3,8,10,17H,4-7H2,1H3
InChIKeyWWIKLSMIJFACIP-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(trifluoromethoxy)phenyl]piperidine
CID 58808055
4-[2-(trifluoromethoxy)phenyl]azepane
CID 83262241
4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 169452686
4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine
CID 171115591
4-(2-fluoro-5-methylphenyl)azepane
CID 83262245
N,5-dimethyl-2-piperidin-4-ylaniline;ethane
CID 166120568
4-methyl-1-methylsulfinyl-2-(trifluoromethoxy)benzene
CID 70910460
4-[4-fluoro-2-(2-fluoro-4-methylphenyl)sulfanylphenyl]piperidine
CID 11381601
N,N-dimethyl-1-(5-methyl-2-piperidin-4-ylphenyl)methanamine;ethane
CID 166120310
4-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]piperidine
CID 117467271
1-cyclopropyl-4-ethenyl-2-(trifluoromethoxy)benzene
CID 118268925
4-[2-(oxan-4-ylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 171115600

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine?
The IUPAC name of 4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine (CID 166120324) is 4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine.
What is the SMILES notation for 4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine?
The canonical SMILES for 4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine is Cc1ccc(C2CCNCC2)c(OC(F)(F)F)c1.
What is the InChIKey of 4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine?
The InChIKey is WWIKLSMIJFACIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-9-2-3-11(10-4-6-17-7-5-10)12(8-9)18-13(14,15)16/h2-3,8,10,17H,4-7H2,1H3.
What are the key properties of 4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine?
4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine has a molecular weight of 259.27 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine is sourced from PubChem (CID 166120324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).