4-(4,4-dimethylpiperidin-1-yl)-3-ethyl-5-(3-fluoro-4-propoxyphenyl)-2,6-dimethylpyridine

C25H35FN2O — CID 138497858

IUPAC4-(4,4-dimethylpiperidin-1-yl)-3-ethyl-5-(3-fluoro-4-propoxyphenyl)-2,6-dimethylpyridine
SMILESCCCOc1ccc(-c2c(C)nc(C)c(CC)c2N2CCC(C)(C)CC2)cc1F
InChIInChI=1S/C25H35FN2O/c1-7-15-29-22-10-9-19(16-21(22)26)23-18(4)27-17(3)20(8-2)24(23)28-13-11-25(5,6)12-14-28/h9-10,16H,7-8,11-15H2,1-6H3
InChIKeyUQGODXFCOJIBIE-UHFFFAOYSA-N
MW398.57 g/mol
LogP6.48
Rot. Bonds6

About 4-(4,4-dimethylpiperidin-1-yl)-3-ethyl-5-(3-fluoro-4-propoxyphenyl)-2,6-dimethylpyridine

4-(4,4-dimethylpiperidin-1-yl)-3-ethyl-5-(3-fluoro-4-propoxyphenyl)-2,6-dimethylpyridine (PubChem CID 138497858) has the molecular formula C25H35FN2O and a molecular weight of 398.57 g/mol. Its IUPAC name is 4-(4,4-dimethylpiperidin-1-yl)-3-ethyl-5-(3-fluoro-4-propoxyphenyl)-2,6-dimethylpyridine.

Molecular Properties

Compound Name4-(4,4-dimethylpiperidin-1-yl)-3-ethyl-5-(3-fluoro-4-propoxyphenyl)-2,6-dimethylpyridine
PubChem CID138497858
Molecular FormulaC25H35FN2O
Molecular Weight398.57 g/mol
Exact Mass398.27
IUPAC Name4-(4,4-dimethylpiperidin-1-yl)-3-ethyl-5-(3-fluoro-4-propoxyphenyl)-2,6-dimethylpyridine
SMILESCCCOc1ccc(-c2c(C)nc(C)c(CC)c2N2CCC(C)(C)CC2)cc1F
InChIInChI=1S/C25H35FN2O/c1-7-15-29-22-10-9-19(16-21(22)26)23-18(4)27-17(3)20(8-2)24(23)28-13-11-25(5,6)12-14-28/h9-10,16H,7-8,11-15H2,1-6H3
InChIKeyUQGODXFCOJIBIE-UHFFFAOYSA-N
XLogP6.48
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.57
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)-3-ethyl-5-(3-fluoro-4-propoxyphenyl)-2,6-dimethylpyridine?
The IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)-3-ethyl-5-(3-fluoro-4-propoxyphenyl)-2,6-dimethylpyridine (CID 138497858) is 4-(4,4-dimethylpiperidin-1-yl)-3-ethyl-5-(3-fluoro-4-propoxyphenyl)-2,6-dimethylpyridine.
What is the SMILES notation for 4-(4,4-dimethylpiperidin-1-yl)-3-ethyl-5-(3-fluoro-4-propoxyphenyl)-2,6-dimethylpyridine?
The canonical SMILES for 4-(4,4-dimethylpiperidin-1-yl)-3-ethyl-5-(3-fluoro-4-propoxyphenyl)-2,6-dimethylpyridine is CCCOc1ccc(-c2c(C)nc(C)c(CC)c2N2CCC(C)(C)CC2)cc1F.
What is the InChIKey of 4-(4,4-dimethylpiperidin-1-yl)-3-ethyl-5-(3-fluoro-4-propoxyphenyl)-2,6-dimethylpyridine?
The InChIKey is UQGODXFCOJIBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FN2O/c1-7-15-29-22-10-9-19(16-21(22)26)23-18(4)27-17(3)20(8-2)24(23)28-13-11-25(5,6)12-14-28/h9-10,16H,7-8,11-15H2,1-6H3.
What are the key properties of 4-(4,4-dimethylpiperidin-1-yl)-3-ethyl-5-(3-fluoro-4-propoxyphenyl)-2,6-dimethylpyridine?
4-(4,4-dimethylpiperidin-1-yl)-3-ethyl-5-(3-fluoro-4-propoxyphenyl)-2,6-dimethylpyridine has a molecular weight of 398.57 g/mol, XLogP of 6.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylpiperidin-1-yl)-3-ethyl-5-(3-fluoro-4-propoxyphenyl)-2,6-dimethylpyridine is sourced from PubChem (CID 138497858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).