2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]piperidine

C14H18F3NO — CID 104823558

IUPAC2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]piperidine
SMILESCC1CCC(Cc2ccccc2OC(F)(F)F)CN1
InChIInChI=1S/C14H18F3NO/c1-10-6-7-11(9-18-10)8-12-4-2-3-5-13(12)19-14(15,16)17/h2-5,10-11,18H,6-9H2,1H3
InChIKeyAOIXQPIBMMERBZ-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.52
Rot. Bonds3

About 2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]piperidine

2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]piperidine (PubChem CID 104823558) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]piperidine
PubChem CID104823558
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]piperidine
SMILESCC1CCC(Cc2ccccc2OC(F)(F)F)CN1
InChIInChI=1S/C14H18F3NO/c1-10-6-7-11(9-18-10)8-12-4-2-3-5-13(12)19-14(15,16)17/h2-5,10-11,18H,6-9H2,1H3
InChIKeyAOIXQPIBMMERBZ-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
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3-(cyclopropylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
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3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 43216462
1-(2-chloroethyl)-2-(trifluoromethoxy)benzene
CID 53433961
CID 142546618
CID 142546618
dichloro-[[2-(trifluoromethoxy)phenyl]methyl]silane
CID 149252031
N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]piperidine?
The IUPAC name of 2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]piperidine (CID 104823558) is 2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]piperidine.
What is the SMILES notation for 2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]piperidine?
The canonical SMILES for 2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]piperidine is CC1CCC(Cc2ccccc2OC(F)(F)F)CN1.
What is the InChIKey of 2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]piperidine?
The InChIKey is AOIXQPIBMMERBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-10-6-7-11(9-18-10)8-12-4-2-3-5-13(12)19-14(15,16)17/h2-5,10-11,18H,6-9H2,1H3.
What are the key properties of 2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]piperidine?
2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]piperidine has a molecular weight of 273.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]piperidine is sourced from PubChem (CID 104823558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).