[1-(4,6-diethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol

C13H22N4O3 — CID 71764079

IUPAC[1-(4,6-diethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
SMILESCCOc1nc(OCC)nc(N2CCC(CO)CC2)n1
InChIInChI=1S/C13H22N4O3/c1-3-19-12-14-11(15-13(16-12)20-4-2)17-7-5-10(9-18)6-8-17/h10,18H,3-9H2,1-2H3
InChIKeyYWCNGLDRPARRTG-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.88
Rot. Bonds6

About [1-(4,6-diethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol

[1-(4,6-diethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol (PubChem CID 71764079) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is [1-(4,6-diethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(4,6-diethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
PubChem CID71764079
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name[1-(4,6-diethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
SMILESCCOc1nc(OCC)nc(N2CCC(CO)CC2)n1
InChIInChI=1S/C13H22N4O3/c1-3-19-12-14-11(15-13(16-12)20-4-2)17-7-5-10(9-18)6-8-17/h10,18H,3-9H2,1-2H3
InChIKeyYWCNGLDRPARRTG-UHFFFAOYSA-N
XLogP0.88
TPSA80.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(4,6-diethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(4,6-diethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol (CID 71764079) is [1-(4,6-diethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(4,6-diethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(4,6-diethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol is CCOc1nc(OCC)nc(N2CCC(CO)CC2)n1.
What is the InChIKey of [1-(4,6-diethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
The InChIKey is YWCNGLDRPARRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-3-19-12-14-11(15-13(16-12)20-4-2)17-7-5-10(9-18)6-8-17/h10,18H,3-9H2,1-2H3.
What are the key properties of [1-(4,6-diethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
[1-(4,6-diethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol has a molecular weight of 282.34 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,6-diethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 71764079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).