1-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpiperidine

C16H25NO — CID 2845646

IUPAC1-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpiperidine
SMILESCOc1ccc(CN2CCCCC2C)c(C)c1C
InChIInChI=1S/C16H25NO/c1-12-7-5-6-10-17(12)11-15-8-9-16(18-4)14(3)13(15)2/h8-9,12H,5-7,10-11H2,1-4H3
InChIKeyUWRWRXWLLGXKFW-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.69
Rot. Bonds3

About 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpiperidine

1-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpiperidine (PubChem CID 2845646) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpiperidine.

Molecular Properties

Compound Name1-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpiperidine
PubChem CID2845646
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpiperidine
SMILESCOc1ccc(CN2CCCCC2C)c(C)c1C
InChIInChI=1S/C16H25NO/c1-12-7-5-6-10-17(12)11-15-8-9-16(18-4)14(3)13(15)2/h8-9,12H,5-7,10-11H2,1-4H3
InChIKeyUWRWRXWLLGXKFW-UHFFFAOYSA-N
XLogP3.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpiperidine?
The IUPAC name of 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpiperidine (CID 2845646) is 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpiperidine.
What is the SMILES notation for 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpiperidine?
The canonical SMILES for 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpiperidine is COc1ccc(CN2CCCCC2C)c(C)c1C.
What is the InChIKey of 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpiperidine?
The InChIKey is UWRWRXWLLGXKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-7-5-6-10-17(12)11-15-8-9-16(18-4)14(3)13(15)2/h8-9,12H,5-7,10-11H2,1-4H3.
What are the key properties of 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpiperidine?
1-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpiperidine has a molecular weight of 247.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpiperidine is sourced from PubChem (CID 2845646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).