3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine

C15H23NO2 — CID 117376942

IUPAC3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
SMILESCOc1cc(C)c(C2CCCNC2)c(C)c1OC
InChIInChI=1S/C15H23NO2/c1-10-8-13(17-3)15(18-4)11(2)14(10)12-6-5-7-16-9-12/h8,12,16H,5-7,9H2,1-4H3
InChIKeyRCHVVWCTRRLCPC-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.79
Rot. Bonds3

About 3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine

3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine (PubChem CID 117376942) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine.

Molecular Properties

Compound Name3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
PubChem CID117376942
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
SMILESCOc1cc(C)c(C2CCCNC2)c(C)c1OC
InChIInChI=1S/C15H23NO2/c1-10-8-13(17-3)15(18-4)11(2)14(10)12-6-5-7-16-9-12/h8,12,16H,5-7,9H2,1-4H3
InChIKeyRCHVVWCTRRLCPC-UHFFFAOYSA-N
XLogP2.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117499540
3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine
CID 117480622
3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol
CID 117392624
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine
CID 117456300
3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 117392479
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine
CID 117480620
3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine
CID 117116459
3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117352217
3-(3-bromo-5-methoxy-4-methylphenyl)piperidine
CID 117457367
3-(6-ethyl-2,3-dimethoxyphenyl)piperidine
CID 117376940
2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine
CID 116962291

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine?
The IUPAC name of 3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine (CID 117376942) is 3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine.
What is the SMILES notation for 3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine?
The canonical SMILES for 3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine is COc1cc(C)c(C2CCCNC2)c(C)c1OC.
What is the InChIKey of 3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine?
The InChIKey is RCHVVWCTRRLCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-8-13(17-3)15(18-4)11(2)14(10)12-6-5-7-16-9-12/h8,12,16H,5-7,9H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine?
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine has a molecular weight of 249.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine is sourced from PubChem (CID 117376942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).