4-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]piperidine

C14H18F3NO2 — CID 117467271

IUPAC4-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]piperidine
SMILESCOc1cc(C2CCNCC2)c(C(F)(F)F)cc1OC
InChIInChI=1S/C14H18F3NO2/c1-19-12-7-10(9-3-5-18-6-4-9)11(14(15,16)17)8-13(12)20-2/h7-9,18H,3-6H2,1-2H3
InChIKeyXWDVRBBAZZKONW-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.19
Rot. Bonds3

About 4-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]piperidine

4-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]piperidine (PubChem CID 117467271) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name4-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]piperidine
PubChem CID117467271
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name4-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]piperidine
SMILESCOc1cc(C2CCNCC2)c(C(F)(F)F)cc1OC
InChIInChI=1S/C14H18F3NO2/c1-19-12-7-10(9-3-5-18-6-4-9)11(14(15,16)17)8-13(12)20-2/h7-9,18H,3-6H2,1-2H3
InChIKeyXWDVRBBAZZKONW-UHFFFAOYSA-N
XLogP3.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]pyrrolidine
CID 117439944
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]piperidine
CID 117430883
4-(2-methoxyphenyl)piperidine
CID 544738
3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine
CID 84705043
4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine
CID 117460328
3-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]pyrrolidine
CID 117421917
(3S)-3-[5-fluoro-2-methoxy-4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 162471999
4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine
CID 166120324
1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 117489558
4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine
CID 117402861
4-(4-chloro-2-methoxy-5-methylphenyl)piperidine
CID 83392391
2,5-dimethoxy-4-piperidin-4-ylpyridine
CID 84687688

Frequently Asked Questions

What is the IUPAC name of 4-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 4-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]piperidine (CID 117467271) is 4-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 4-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 4-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]piperidine is COc1cc(C2CCNCC2)c(C(F)(F)F)cc1OC.
What is the InChIKey of 4-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]piperidine?
The InChIKey is XWDVRBBAZZKONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-19-12-7-10(9-3-5-18-6-4-9)11(14(15,16)17)8-13(12)20-2/h7-9,18H,3-6H2,1-2H3.
What are the key properties of 4-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]piperidine?
4-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]piperidine has a molecular weight of 289.30 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 117467271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).