2-methoxy-3,6-dimethyl-4-piperidin-2-ylphenol

C14H21NO2 — CID 84698765

IUPAC2-methoxy-3,6-dimethyl-4-piperidin-2-ylphenol
SMILESCOc1c(C)c(C2CCCCN2)cc(C)c1O
InChIInChI=1S/C14H21NO2/c1-9-8-11(12-6-4-5-7-15-12)10(2)14(17-3)13(9)16/h8,12,15-16H,4-7H2,1-3H3
InChIKeyCSIDKAFTEWKJNE-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.83
Rot. Bonds2

About 2-methoxy-3,6-dimethyl-4-piperidin-2-ylphenol

2-methoxy-3,6-dimethyl-4-piperidin-2-ylphenol (PubChem CID 84698765) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methoxy-3,6-dimethyl-4-piperidin-2-ylphenol.

Molecular Properties

Compound Name2-methoxy-3,6-dimethyl-4-piperidin-2-ylphenol
PubChem CID84698765
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-methoxy-3,6-dimethyl-4-piperidin-2-ylphenol
SMILESCOc1c(C)c(C2CCCCN2)cc(C)c1O
InChIInChI=1S/C14H21NO2/c1-9-8-11(12-6-4-5-7-15-12)10(2)14(17-3)13(9)16/h8,12,15-16H,4-7H2,1-3H3
InChIKeyCSIDKAFTEWKJNE-UHFFFAOYSA-N
XLogP2.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5,6-dimethyl-3-piperidin-2-ylphenol
CID 117343133
2-(4-methoxy-2,3,5-trimethylphenyl)piperidine
CID 82290366
2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine
CID 82286064
2-methoxy-3-methyl-6-piperidin-2-ylphenol
CID 84686849
2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 117483291
(2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride
CID 171195127
2-(2-methoxy-3-methylphenyl)azepane
CID 5021978
2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol
CID 117377158
2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine
CID 84686830
2-bromo-3,4-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117486235
4-methoxy-7-[(2R)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-ol
CID 66519356
(2S)-2-(4-methoxy-2-methylphenyl)azepane
CID 26189003

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,6-dimethyl-4-piperidin-2-ylphenol?
The IUPAC name of 2-methoxy-3,6-dimethyl-4-piperidin-2-ylphenol (CID 84698765) is 2-methoxy-3,6-dimethyl-4-piperidin-2-ylphenol.
What is the SMILES notation for 2-methoxy-3,6-dimethyl-4-piperidin-2-ylphenol?
The canonical SMILES for 2-methoxy-3,6-dimethyl-4-piperidin-2-ylphenol is COc1c(C)c(C2CCCCN2)cc(C)c1O.
What is the InChIKey of 2-methoxy-3,6-dimethyl-4-piperidin-2-ylphenol?
The InChIKey is CSIDKAFTEWKJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-8-11(12-6-4-5-7-15-12)10(2)14(17-3)13(9)16/h8,12,15-16H,4-7H2,1-3H3.
What are the key properties of 2-methoxy-3,6-dimethyl-4-piperidin-2-ylphenol?
2-methoxy-3,6-dimethyl-4-piperidin-2-ylphenol has a molecular weight of 235.33 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,6-dimethyl-4-piperidin-2-ylphenol is sourced from PubChem (CID 84698765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).