3-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-methylpiperidine

C16H25NO — CID 106681186

IUPAC3-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-methylpiperidine
SMILESCOc1cc(C)cc(C)c1CC1CNCCC1C
InChIInChI=1S/C16H25NO/c1-11-7-13(3)15(16(8-11)18-4)9-14-10-17-6-5-12(14)2/h7-8,12,14,17H,5-6,9-10H2,1-4H3
InChIKeyGWTPIAPLJJIUGK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.10
Rot. Bonds3

About 3-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-methylpiperidine

3-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-methylpiperidine (PubChem CID 106681186) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-methylpiperidine.

Molecular Properties

Compound Name3-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-methylpiperidine
PubChem CID106681186
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-methylpiperidine
SMILESCOc1cc(C)cc(C)c1CC1CNCCC1C
InChIInChI=1S/C16H25NO/c1-11-7-13(3)15(16(8-11)18-4)9-14-10-17-6-5-12(14)2/h7-8,12,14,17H,5-6,9-10H2,1-4H3
InChIKeyGWTPIAPLJJIUGK-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-methylpiperidine 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-4,6-dimethylphenyl)methyl]-1-methylpiperazine
CID 116928060
N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115119043
3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine
CID 82492093
4-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol
CID 116928492
4-[(2-bromo-6-methoxy-4-methylphenyl)methyl]piperidine
CID 84815988
1-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
CID 82480406
4-[(3,5-dimethylphenyl)methyl]-3-methylpiperidine
CID 106777878
2-ethyl-1-methoxy-3,5-dimethylbenzene;propane
CID 170973865
N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208286
1-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1,4-diazepane
CID 82485738
N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine
CID 82493926
4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
CID 117377234

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-methylpiperidine?
The IUPAC name of 3-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-methylpiperidine (CID 106681186) is 3-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-methylpiperidine.
What is the SMILES notation for 3-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-methylpiperidine?
The canonical SMILES for 3-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-methylpiperidine is COc1cc(C)cc(C)c1CC1CNCCC1C.
What is the InChIKey of 3-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-methylpiperidine?
The InChIKey is GWTPIAPLJJIUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-7-13(3)15(16(8-11)18-4)9-14-10-17-6-5-12(14)2/h7-8,12,14,17H,5-6,9-10H2,1-4H3.
What are the key properties of 3-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-methylpiperidine?
3-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-methylpiperidine has a molecular weight of 247.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-methylpiperidine is sourced from PubChem (CID 106681186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).