5-ethyl-2-(4-propoxypiperidin-1-yl)pyrimidine

C14H23N3O — CID 58375356

IUPAC5-ethyl-2-(4-propoxypiperidin-1-yl)pyrimidine
SMILESCCCOC1CCN(c2ncc(CC)cn2)CC1
InChIInChI=1S/C14H23N3O/c1-3-9-18-13-5-7-17(8-6-13)14-15-10-12(4-2)11-16-14/h10-11,13H,3-9H2,1-2H3
InChIKeyWAEMAIWTUFZVFM-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.43
Rot. Bonds5

About 5-ethyl-2-(4-propoxypiperidin-1-yl)pyrimidine

5-ethyl-2-(4-propoxypiperidin-1-yl)pyrimidine (PubChem CID 58375356) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-ethyl-2-(4-propoxypiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-(4-propoxypiperidin-1-yl)pyrimidine
PubChem CID58375356
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name5-ethyl-2-(4-propoxypiperidin-1-yl)pyrimidine
SMILESCCCOC1CCN(c2ncc(CC)cn2)CC1
InChIInChI=1S/C14H23N3O/c1-3-9-18-13-5-7-17(8-6-13)14-15-10-12(4-2)11-16-14/h10-11,13H,3-9H2,1-2H3
InChIKeyWAEMAIWTUFZVFM-UHFFFAOYSA-N
XLogP2.43
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-propoxypiperidin-1-yl)pyrimidine?
The IUPAC name of 5-ethyl-2-(4-propoxypiperidin-1-yl)pyrimidine (CID 58375356) is 5-ethyl-2-(4-propoxypiperidin-1-yl)pyrimidine.
What is the SMILES notation for 5-ethyl-2-(4-propoxypiperidin-1-yl)pyrimidine?
The canonical SMILES for 5-ethyl-2-(4-propoxypiperidin-1-yl)pyrimidine is CCCOC1CCN(c2ncc(CC)cn2)CC1.
What is the InChIKey of 5-ethyl-2-(4-propoxypiperidin-1-yl)pyrimidine?
The InChIKey is WAEMAIWTUFZVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-9-18-13-5-7-17(8-6-13)14-15-10-12(4-2)11-16-14/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 5-ethyl-2-(4-propoxypiperidin-1-yl)pyrimidine?
5-ethyl-2-(4-propoxypiperidin-1-yl)pyrimidine has a molecular weight of 249.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-propoxypiperidin-1-yl)pyrimidine is sourced from PubChem (CID 58375356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).