6-(2,6-diethylphenyl)-3-[(3,3-dimethylpiperidin-1-yl)methyl]-2-methyl-4-propan-2-yloxypyridine

C27H40N2O — CID 66993726

IUPAC6-(2,6-diethylphenyl)-3-[(3,3-dimethylpiperidin-1-yl)methyl]-2-methyl-4-propan-2-yloxypyridine
SMILESCCc1cccc(CC)c1-c1cc(OC(C)C)c(CN2CCCC(C)(C)C2)c(C)n1
InChIInChI=1S/C27H40N2O/c1-8-21-12-10-13-22(9-2)26(21)24-16-25(30-19(3)4)23(20(5)28-24)17-29-15-11-14-27(6,7)18-29/h10,12-13,16,19H,8-9,11,14-15,17-18H2,1-7H3
InChIKeyVJPJPGVMMWFLMY-UHFFFAOYSA-N
MW408.63 g/mol
LogP6.59
Rot. Bonds7

About 6-(2,6-diethylphenyl)-3-[(3,3-dimethylpiperidin-1-yl)methyl]-2-methyl-4-propan-2-yloxypyridine

6-(2,6-diethylphenyl)-3-[(3,3-dimethylpiperidin-1-yl)methyl]-2-methyl-4-propan-2-yloxypyridine (PubChem CID 66993726) has the molecular formula C27H40N2O and a molecular weight of 408.63 g/mol. Its IUPAC name is 6-(2,6-diethylphenyl)-3-[(3,3-dimethylpiperidin-1-yl)methyl]-2-methyl-4-propan-2-yloxypyridine.

Molecular Properties

Compound Name6-(2,6-diethylphenyl)-3-[(3,3-dimethylpiperidin-1-yl)methyl]-2-methyl-4-propan-2-yloxypyridine
PubChem CID66993726
Molecular FormulaC27H40N2O
Molecular Weight408.63 g/mol
Exact Mass408.31
IUPAC Name6-(2,6-diethylphenyl)-3-[(3,3-dimethylpiperidin-1-yl)methyl]-2-methyl-4-propan-2-yloxypyridine
SMILESCCc1cccc(CC)c1-c1cc(OC(C)C)c(CN2CCCC(C)(C)C2)c(C)n1
InChIInChI=1S/C27H40N2O/c1-8-21-12-10-13-22(9-2)26(21)24-16-25(30-19(3)4)23(20(5)28-24)17-29-15-11-14-27(6,7)18-29/h10,12-13,16,19H,8-9,11,14-15,17-18H2,1-7H3
InChIKeyVJPJPGVMMWFLMY-UHFFFAOYSA-N
XLogP6.59
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.63
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-diethylphenyl)-3-[(3,3-dimethylpiperidin-1-yl)methyl]-2-methyl-4-propan-2-yloxypyridine?
The IUPAC name of 6-(2,6-diethylphenyl)-3-[(3,3-dimethylpiperidin-1-yl)methyl]-2-methyl-4-propan-2-yloxypyridine (CID 66993726) is 6-(2,6-diethylphenyl)-3-[(3,3-dimethylpiperidin-1-yl)methyl]-2-methyl-4-propan-2-yloxypyridine.
What is the SMILES notation for 6-(2,6-diethylphenyl)-3-[(3,3-dimethylpiperidin-1-yl)methyl]-2-methyl-4-propan-2-yloxypyridine?
The canonical SMILES for 6-(2,6-diethylphenyl)-3-[(3,3-dimethylpiperidin-1-yl)methyl]-2-methyl-4-propan-2-yloxypyridine is CCc1cccc(CC)c1-c1cc(OC(C)C)c(CN2CCCC(C)(C)C2)c(C)n1.
What is the InChIKey of 6-(2,6-diethylphenyl)-3-[(3,3-dimethylpiperidin-1-yl)methyl]-2-methyl-4-propan-2-yloxypyridine?
The InChIKey is VJPJPGVMMWFLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O/c1-8-21-12-10-13-22(9-2)26(21)24-16-25(30-19(3)4)23(20(5)28-24)17-29-15-11-14-27(6,7)18-29/h10,12-13,16,19H,8-9,11,14-15,17-18H2,1-7H3.
What are the key properties of 6-(2,6-diethylphenyl)-3-[(3,3-dimethylpiperidin-1-yl)methyl]-2-methyl-4-propan-2-yloxypyridine?
6-(2,6-diethylphenyl)-3-[(3,3-dimethylpiperidin-1-yl)methyl]-2-methyl-4-propan-2-yloxypyridine has a molecular weight of 408.63 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-diethylphenyl)-3-[(3,3-dimethylpiperidin-1-yl)methyl]-2-methyl-4-propan-2-yloxypyridine is sourced from PubChem (CID 66993726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).