4-[[2,5-dimethoxy-3-(trifluoromethyl)phenyl]methyl]piperidine

C15H20F3NO2 — CID 117488368

IUPAC4-[[2,5-dimethoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCOc1cc(CC2CCNCC2)c(OC)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO2/c1-20-12-8-11(7-10-3-5-19-6-4-10)14(21-2)13(9-12)15(16,17)18/h8-10,19H,3-7H2,1-2H3
InChIKeyYXGMHXPDAVDTSQ-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.26
Rot. Bonds4

About 4-[[2,5-dimethoxy-3-(trifluoromethyl)phenyl]methyl]piperidine

4-[[2,5-dimethoxy-3-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 117488368) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-[[2,5-dimethoxy-3-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[2,5-dimethoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID117488368
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name4-[[2,5-dimethoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCOc1cc(CC2CCNCC2)c(OC)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO2/c1-20-12-8-11(7-10-3-5-19-6-4-10)14(21-2)13(9-12)15(16,17)18/h8-10,19H,3-7H2,1-2H3
InChIKeyYXGMHXPDAVDTSQ-UHFFFAOYSA-N
XLogP3.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[2,5-dimethoxy-3-(trifluoromethyl)phenyl]methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]methyl]piperidine
CID 117455594
3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84806155
3-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]piperidine
CID 117470959
4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386378
4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117376581
4-[[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117476126
3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
CID 84810047
4-[(2,4,5-trifluoro-3-methoxyphenyl)methyl]piperidine
CID 117117929
4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
CID 117377234
4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117382042
3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol
CID 117381520
methanol;[4-(piperidin-4-ylmethyl)-3-(trifluoromethyl)phenyl]azanium
CID 162434887

Frequently Asked Questions

What is the IUPAC name of 4-[[2,5-dimethoxy-3-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-[[2,5-dimethoxy-3-(trifluoromethyl)phenyl]methyl]piperidine (CID 117488368) is 4-[[2,5-dimethoxy-3-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[2,5-dimethoxy-3-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-[[2,5-dimethoxy-3-(trifluoromethyl)phenyl]methyl]piperidine is COc1cc(CC2CCNCC2)c(OC)c(C(F)(F)F)c1.
What is the InChIKey of 4-[[2,5-dimethoxy-3-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is YXGMHXPDAVDTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-20-12-8-11(7-10-3-5-19-6-4-10)14(21-2)13(9-12)15(16,17)18/h8-10,19H,3-7H2,1-2H3.
What are the key properties of 4-[[2,5-dimethoxy-3-(trifluoromethyl)phenyl]methyl]piperidine?
4-[[2,5-dimethoxy-3-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 303.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,5-dimethoxy-3-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 117488368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).