2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine

C14H18F3NO — CID 117435551

IUPAC2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCOc1ccc(CC2CCCCN2)c(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO/c1-19-12-6-5-10(13(9-12)14(15,16)17)8-11-4-2-3-7-18-11/h5-6,9,11,18H,2-4,7-8H2,1H3
InChIKeyIVALNMARMDKMCX-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.40
Rot. Bonds3

About 2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine

2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 117435551) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID117435551
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCOc1ccc(CC2CCCCN2)c(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO/c1-19-12-6-5-10(13(9-12)14(15,16)17)8-11-4-2-3-7-18-11/h5-6,9,11,18H,2-4,7-8H2,1H3
InChIKeyIVALNMARMDKMCX-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 82612103
3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84806155
2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol
CID 117439926
2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117401448
2-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84806173
1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine
CID 117405725
6-methoxy-1-(piperidin-2-ylmethyl)isoquinoline
CID 116995390
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
2-chloro-4-(piperidin-2-ylmethyl)-5-(trifluoromethyl)phenol
CID 117473840
2-[[2,5-bis(methylsulfanyl)-4-(trifluoromethyl)phenyl]methyl]piperidine
CID 178136976
[4-methoxy-2-(trifluoromethyl)phenyl]methanethiol
CID 162580315

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine (CID 117435551) is 2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine is COc1ccc(CC2CCCCN2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is IVALNMARMDKMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-19-12-6-5-10(13(9-12)14(15,16)17)8-11-4-2-3-7-18-11/h5-6,9,11,18H,2-4,7-8H2,1H3.
What are the key properties of 2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine?
2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 273.30 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 117435551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).