2,4-diethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine

C13H22N4O2 — CID 646455

IUPAC2,4-diethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine
SMILESCCOc1nc(OCC)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C13H22N4O2/c1-4-18-12-14-11(15-13(16-12)19-5-2)17-8-6-10(3)7-9-17/h10H,4-9H2,1-3H3
InChIKeyBKVPLIYYSSTECC-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.91
Rot. Bonds5

About 2,4-diethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine

2,4-diethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine (PubChem CID 646455) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2,4-diethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine
PubChem CID646455
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2,4-diethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine
SMILESCCOc1nc(OCC)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C13H22N4O2/c1-4-18-12-14-11(15-13(16-12)19-5-2)17-8-6-10(3)7-9-17/h10H,4-9H2,1-3H3
InChIKeyBKVPLIYYSSTECC-UHFFFAOYSA-N
XLogP1.91
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4-diethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine (CID 646455) is 2,4-diethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-diethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine is CCOc1nc(OCC)nc(N2CCC(C)CC2)n1.
What is the InChIKey of 2,4-diethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine?
The InChIKey is BKVPLIYYSSTECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-18-12-14-11(15-13(16-12)19-5-2)17-8-6-10(3)7-9-17/h10H,4-9H2,1-3H3.
What are the key properties of 2,4-diethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine?
2,4-diethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine has a molecular weight of 266.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 646455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).