3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine

C14H18F3NO — CID 84810047

IUPAC3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCOc1c(CC2CCCNC2)cccc1C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-19-13-11(8-10-4-3-7-18-9-10)5-2-6-12(13)14(15,16)17/h2,5-6,10,18H,3-4,7-9H2,1H3
InChIKeyQBNRVAXCZYCZTM-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.26
Rot. Bonds3

About 3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine

3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 84810047) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID84810047
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCOc1c(CC2CCCNC2)cccc1C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-19-13-11(8-10-4-3-7-18-9-10)5-2-6-12(13)14(15,16)17/h2,5-6,10,18H,3-4,7-9H2,1H3
InChIKeyQBNRVAXCZYCZTM-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-6-(piperidin-3-ylmethyl)-3-(trifluoromethyl)phenol
CID 117467242
3-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]piperidine
CID 84810049
1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine
CID 117411138
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117316206
4-methoxy-5-(piperidin-3-ylmethyl)-1H-indole
CID 117363152
3-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]piperidine
CID 117470959
2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
CID 117391311
3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine
CID 84808890
3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117476118
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine
CID 117444661

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine (CID 84810047) is 3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine is COc1c(CC2CCCNC2)cccc1C(F)(F)F.
What is the InChIKey of 3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is QBNRVAXCZYCZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-19-13-11(8-10-4-3-7-18-9-10)5-2-6-12(13)14(15,16)17/h2,5-6,10,18H,3-4,7-9H2,1H3.
What are the key properties of 3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine?
3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 273.30 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 84810047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).