1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol

C13H23N5O2 — CID 81107973

IUPAC1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
SMILESCCNc1nc(OCC)nc(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C13H23N5O2/c1-4-14-10-15-11(17-12(16-10)20-5-2)18-8-6-13(3,19)7-9-18/h19H,4-9H2,1-3H3,(H,14,15,16,17)
InChIKeyYKXPNCKBZQABNL-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.05
Rot. Bonds5

About 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol

1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol (PubChem CID 81107973) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
PubChem CID81107973
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
SMILESCCNc1nc(OCC)nc(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C13H23N5O2/c1-4-14-10-15-11(17-12(16-10)20-5-2)18-8-6-13(3,19)7-9-18/h19H,4-9H2,1-3H3,(H,14,15,16,17)
InChIKeyYKXPNCKBZQABNL-UHFFFAOYSA-N
XLogP1.05
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol (CID 81107973) is 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol is CCNc1nc(OCC)nc(N2CCC(C)(O)CC2)n1.
What is the InChIKey of 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol?
The InChIKey is YKXPNCKBZQABNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-4-14-10-15-11(17-12(16-10)20-5-2)18-8-6-13(3,19)7-9-18/h19H,4-9H2,1-3H3,(H,14,15,16,17).
What are the key properties of 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol?
1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol has a molecular weight of 281.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81107973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).