2-[(2-methoxy-5-methylphenyl)methyl]-6-(trifluoromethyl)piperidine

C15H20F3NO — CID 106778230

IUPAC2-[(2-methoxy-5-methylphenyl)methyl]-6-(trifluoromethyl)piperidine
SMILESCOc1ccc(C)cc1CC1CCCC(C(F)(F)F)N1
InChIInChI=1S/C15H20F3NO/c1-10-6-7-13(20-2)11(8-10)9-12-4-3-5-14(19-12)15(16,17)18/h6-8,12,14,19H,3-5,9H2,1-2H3
InChIKeyYNAHGWFNCUQRPH-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.62
Rot. Bonds3

About 2-[(2-methoxy-5-methylphenyl)methyl]-6-(trifluoromethyl)piperidine

2-[(2-methoxy-5-methylphenyl)methyl]-6-(trifluoromethyl)piperidine (PubChem CID 106778230) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)methyl]-6-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)methyl]-6-(trifluoromethyl)piperidine
PubChem CID106778230
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-[(2-methoxy-5-methylphenyl)methyl]-6-(trifluoromethyl)piperidine
SMILESCOc1ccc(C)cc1CC1CCCC(C(F)(F)F)N1
InChIInChI=1S/C15H20F3NO/c1-10-6-7-13(20-2)11(8-10)9-12-4-3-5-14(19-12)15(16,17)18/h6-8,12,14,19H,3-5,9H2,1-2H3
InChIKeyYNAHGWFNCUQRPH-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-methoxy-5-methylphenyl)methyl]-6-(trifluoromethyl)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

2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55136665
2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine
CID 117366139
3-[(2-methoxy-5-methylphenyl)methyl]morpholine
CID 82286569
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033186
3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 82159054
4-[(2-methoxy-5-methylphenyl)methyl]thiolan-3-amine
CID 83196810
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethanol
CID 64987117
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81021831
2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene
CID 116841637
4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine
CID 55041701
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64986574
2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
CID 84700259

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)methyl]-6-(trifluoromethyl)piperidine?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)methyl]-6-(trifluoromethyl)piperidine (CID 106778230) is 2-[(2-methoxy-5-methylphenyl)methyl]-6-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)methyl]-6-(trifluoromethyl)piperidine?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)methyl]-6-(trifluoromethyl)piperidine is COc1ccc(C)cc1CC1CCCC(C(F)(F)F)N1.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)methyl]-6-(trifluoromethyl)piperidine?
The InChIKey is YNAHGWFNCUQRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-10-6-7-13(20-2)11(8-10)9-12-4-3-5-14(19-12)15(16,17)18/h6-8,12,14,19H,3-5,9H2,1-2H3.
What are the key properties of 2-[(2-methoxy-5-methylphenyl)methyl]-6-(trifluoromethyl)piperidine?
2-[(2-methoxy-5-methylphenyl)methyl]-6-(trifluoromethyl)piperidine has a molecular weight of 287.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)methyl]-6-(trifluoromethyl)piperidine is sourced from PubChem (CID 106778230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).