3-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]piperidine

C14H18F3NO — CID 84810049

IUPAC3-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCOc1cccc(C(F)(F)F)c1CC1CCCNC1
InChIInChI=1S/C14H18F3NO/c1-19-13-6-2-5-12(14(15,16)17)11(13)8-10-4-3-7-18-9-10/h2,5-6,10,18H,3-4,7-9H2,1H3
InChIKeyRALOXGFMTSVPLV-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.26
Rot. Bonds3

About 3-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]piperidine

3-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 84810049) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID84810049
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name3-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCOc1cccc(C(F)(F)F)c1CC1CCCNC1
InChIInChI=1S/C14H18F3NO/c1-19-13-6-2-5-12(14(15,16)17)11(13)8-10-4-3-7-18-9-10/h2,5-6,10,18H,3-4,7-9H2,1H3
InChIKeyRALOXGFMTSVPLV-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

3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
CID 84810047
3-[(2-bromo-6-methoxyphenyl)methyl]piperidine
CID 84812911
3-[(2-ethyl-3,6-dimethoxyphenyl)methyl]piperidine
CID 117413501
3-[(2-chloro-3,6-dimethoxyphenyl)methyl]piperidine
CID 117427851
3-[(2-bromo-3,6-dimethoxyphenyl)methyl]piperidine
CID 117499754
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol
CID 84799633
2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117316206
3-[(6-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386358
2-methoxy-6-(piperidin-3-ylmethyl)-3-(trifluoromethyl)phenol
CID 117467242
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117476118

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 3-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]piperidine (CID 84810049) is 3-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 3-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 3-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]piperidine is COc1cccc(C(F)(F)F)c1CC1CCCNC1.
What is the InChIKey of 3-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is RALOXGFMTSVPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-19-13-6-2-5-12(14(15,16)17)11(13)8-10-4-3-7-18-9-10/h2,5-6,10,18H,3-4,7-9H2,1H3.
What are the key properties of 3-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]piperidine?
3-[[2-methoxy-6-(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-6-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 84810049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).