2-methoxy-3-methyl-6-piperidin-2-ylphenol

C13H19NO2 — CID 84686849

IUPAC2-methoxy-3-methyl-6-piperidin-2-ylphenol
SMILESCOc1c(C)ccc(C2CCCCN2)c1O
InChIInChI=1S/C13H19NO2/c1-9-6-7-10(12(15)13(9)16-2)11-5-3-4-8-14-11/h6-7,11,14-15H,3-5,8H2,1-2H3
InChIKeyGDQXUUTYGSDSQA-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.52
Rot. Bonds2

About 2-methoxy-3-methyl-6-piperidin-2-ylphenol

2-methoxy-3-methyl-6-piperidin-2-ylphenol (PubChem CID 84686849) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methoxy-3-methyl-6-piperidin-2-ylphenol.

Molecular Properties

Compound Name2-methoxy-3-methyl-6-piperidin-2-ylphenol
PubChem CID84686849
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-methoxy-3-methyl-6-piperidin-2-ylphenol
SMILESCOc1c(C)ccc(C2CCCCN2)c1O
InChIInChI=1S/C13H19NO2/c1-9-6-7-10(12(15)13(9)16-2)11-5-3-4-8-14-11/h6-7,11,14-15H,3-5,8H2,1-2H3
InChIKeyGDQXUUTYGSDSQA-UHFFFAOYSA-N
XLogP2.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxy-3-methylphenyl)azepane
CID 5021978
2,3-dimethoxy-6-pyrrolidin-2-ylphenol
CID 77131807
2-methoxy-5,6-dimethyl-3-piperidin-2-ylphenol
CID 117343133
2-methoxy-3,6-dimethyl-4-piperidin-2-ylphenol
CID 84698765
2-(2,3,4-trimethoxyphenyl)azepane
CID 62543922
(2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride
CID 171195335
2-(4-methoxy-2,3,5-trimethylphenyl)piperidine
CID 82290366
3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742
(2S)-2-(4-methoxy-2-methylphenyl)azepane
CID 26189003
2-(3-tert-butyl-2-methoxy-6-methylphenyl)piperidine
CID 117408578
3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride
CID 171194852
2-(2,3-difluoro-4-methylphenyl)piperidine
CID 84678474

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-6-piperidin-2-ylphenol?
The IUPAC name of 2-methoxy-3-methyl-6-piperidin-2-ylphenol (CID 84686849) is 2-methoxy-3-methyl-6-piperidin-2-ylphenol.
What is the SMILES notation for 2-methoxy-3-methyl-6-piperidin-2-ylphenol?
The canonical SMILES for 2-methoxy-3-methyl-6-piperidin-2-ylphenol is COc1c(C)ccc(C2CCCCN2)c1O.
What is the InChIKey of 2-methoxy-3-methyl-6-piperidin-2-ylphenol?
The InChIKey is GDQXUUTYGSDSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-6-7-10(12(15)13(9)16-2)11-5-3-4-8-14-11/h6-7,11,14-15H,3-5,8H2,1-2H3.
What are the key properties of 2-methoxy-3-methyl-6-piperidin-2-ylphenol?
2-methoxy-3-methyl-6-piperidin-2-ylphenol has a molecular weight of 221.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-6-piperidin-2-ylphenol is sourced from PubChem (CID 84686849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).