2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol

C15H23NO2 — CID 117377158

IUPAC2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol
SMILESCOc1c(C)c(C)cc(CC2CCCCN2)c1O
InChIInChI=1S/C15H23NO2/c1-10-8-12(9-13-6-4-5-7-16-13)14(17)15(18-3)11(10)2/h8,13,16-17H,4-7,9H2,1-3H3
InChIKeyXABGUOALHFKGQV-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.70
Rot. Bonds3

About 2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol

2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol (PubChem CID 117377158) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol
PubChem CID117377158
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol
SMILESCOc1c(C)c(C)cc(CC2CCCCN2)c1O
InChIInChI=1S/C15H23NO2/c1-10-8-12(9-13-6-4-5-7-16-13)14(17)15(18-3)11(10)2/h8,13,16-17H,4-7,9H2,1-3H3
InChIKeyXABGUOALHFKGQV-UHFFFAOYSA-N
XLogP2.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117392681
2-fluoro-3-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 84799673
2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
CID 117423350
2-methoxy-3,4-dimethyl-5-(piperidin-2-ylmethyl)phenol
CID 117377144
4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117343303
2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 84799672
4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117489195
2-methoxy-3-methyl-5-(piperidin-2-ylmethyl)phenol
CID 117342833
3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol
CID 117386337
2-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316526
2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine
CID 117427831
4-bromo-2-fluoro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117489185

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol?
The IUPAC name of 2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol (CID 117377158) is 2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol.
What is the SMILES notation for 2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol?
The canonical SMILES for 2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol is COc1c(C)c(C)cc(CC2CCCCN2)c1O.
What is the InChIKey of 2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol?
The InChIKey is XABGUOALHFKGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-8-12(9-13-6-4-5-7-16-13)14(17)15(18-3)11(10)2/h8,13,16-17H,4-7,9H2,1-3H3.
What are the key properties of 2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol?
2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol has a molecular weight of 249.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol is sourced from PubChem (CID 117377158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).