2-(2-methoxy-4,6-dimethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine

C17H25NO — CID 106781898

IUPAC2-(2-methoxy-4,6-dimethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESCOc1cc(C)cc(C)c1C1CCC2CCCC2N1
InChIInChI=1S/C17H25NO/c1-11-9-12(2)17(16(10-11)19-3)15-8-7-13-5-4-6-14(13)18-15/h9-10,13-15,18H,4-8H2,1-3H3
InChIKeyYCPBVUQIRLPPIG-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.91
Rot. Bonds2

About 2-(2-methoxy-4,6-dimethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine

2-(2-methoxy-4,6-dimethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (PubChem CID 106781898) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(2-methoxy-4,6-dimethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name2-(2-methoxy-4,6-dimethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
PubChem CID106781898
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(2-methoxy-4,6-dimethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESCOc1cc(C)cc(C)c1C1CCC2CCCC2N1
InChIInChI=1S/C17H25NO/c1-11-9-12(2)17(16(10-11)19-3)15-8-7-13-5-4-6-14(13)18-15/h9-10,13-15,18H,4-8H2,1-3H3
InChIKeyYCPBVUQIRLPPIG-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-methoxy-4,6-dimethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,6-dimethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The IUPAC name of 2-(2-methoxy-4,6-dimethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (CID 106781898) is 2-(2-methoxy-4,6-dimethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.
What is the SMILES notation for 2-(2-methoxy-4,6-dimethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The canonical SMILES for 2-(2-methoxy-4,6-dimethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is COc1cc(C)cc(C)c1C1CCC2CCCC2N1.
What is the InChIKey of 2-(2-methoxy-4,6-dimethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The InChIKey is YCPBVUQIRLPPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-11-9-12(2)17(16(10-11)19-3)15-8-7-13-5-4-6-14(13)18-15/h9-10,13-15,18H,4-8H2,1-3H3.
What are the key properties of 2-(2-methoxy-4,6-dimethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
2-(2-methoxy-4,6-dimethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine has a molecular weight of 259.39 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,6-dimethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is sourced from PubChem (CID 106781898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).