2-[(2-methoxy-3,4-dimethylphenyl)methyl]-5-methylpiperidine

C16H25NO — CID 103434193

IUPAC2-[(2-methoxy-3,4-dimethylphenyl)methyl]-5-methylpiperidine
SMILESCOc1c(CC2CCC(C)CN2)ccc(C)c1C
InChIInChI=1S/C16H25NO/c1-11-5-8-15(17-10-11)9-14-7-6-12(2)13(3)16(14)18-4/h6-7,11,15,17H,5,8-10H2,1-4H3
InChIKeyGJZFTECHAOJXSQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.24
Rot. Bonds3

About 2-[(2-methoxy-3,4-dimethylphenyl)methyl]-5-methylpiperidine

2-[(2-methoxy-3,4-dimethylphenyl)methyl]-5-methylpiperidine (PubChem CID 103434193) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[(2-methoxy-3,4-dimethylphenyl)methyl]-5-methylpiperidine.

Molecular Properties

Compound Name2-[(2-methoxy-3,4-dimethylphenyl)methyl]-5-methylpiperidine
PubChem CID103434193
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[(2-methoxy-3,4-dimethylphenyl)methyl]-5-methylpiperidine
SMILESCOc1c(CC2CCC(C)CN2)ccc(C)c1C
InChIInChI=1S/C16H25NO/c1-11-5-8-15(17-10-11)9-14-7-6-12(2)13(3)16(14)18-4/h6-7,11,15,17H,5,8-10H2,1-4H3
InChIKeyGJZFTECHAOJXSQ-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-3,4-dimethylphenyl)methyl]-5-methylpiperidine?
The IUPAC name of 2-[(2-methoxy-3,4-dimethylphenyl)methyl]-5-methylpiperidine (CID 103434193) is 2-[(2-methoxy-3,4-dimethylphenyl)methyl]-5-methylpiperidine.
What is the SMILES notation for 2-[(2-methoxy-3,4-dimethylphenyl)methyl]-5-methylpiperidine?
The canonical SMILES for 2-[(2-methoxy-3,4-dimethylphenyl)methyl]-5-methylpiperidine is COc1c(CC2CCC(C)CN2)ccc(C)c1C.
What is the InChIKey of 2-[(2-methoxy-3,4-dimethylphenyl)methyl]-5-methylpiperidine?
The InChIKey is GJZFTECHAOJXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-5-8-15(17-10-11)9-14-7-6-12(2)13(3)16(14)18-4/h6-7,11,15,17H,5,8-10H2,1-4H3.
What are the key properties of 2-[(2-methoxy-3,4-dimethylphenyl)methyl]-5-methylpiperidine?
2-[(2-methoxy-3,4-dimethylphenyl)methyl]-5-methylpiperidine has a molecular weight of 247.38 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-3,4-dimethylphenyl)methyl]-5-methylpiperidine is sourced from PubChem (CID 103434193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).