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

C17H29N5O3 — CID 71763884

IUPAC[1-[4-ethoxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
SMILESCCOc1nc(N2CCC(CO)CC2)nc(N2CCC(CO)CC2)n1
InChIInChI=1S/C17H29N5O3/c1-2-25-17-19-15(21-7-3-13(11-23)4-8-21)18-16(20-17)22-9-5-14(12-24)6-10-22/h13-14,23-24H,2-12H2,1H3
InChIKeyVMWIXXFOSJQOFE-UHFFFAOYSA-N
MW351.45 g/mol
LogP0.69
Rot. Bonds6

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

[1-[4-ethoxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol (PubChem CID 71763884) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is [1-[4-ethoxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-ethoxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
PubChem CID71763884
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC Name[1-[4-ethoxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
SMILESCCOc1nc(N2CCC(CO)CC2)nc(N2CCC(CO)CC2)n1
InChIInChI=1S/C17H29N5O3/c1-2-25-17-19-15(21-7-3-13(11-23)4-8-21)18-16(20-17)22-9-5-14(12-24)6-10-22/h13-14,23-24H,2-12H2,1H3
InChIKeyVMWIXXFOSJQOFE-UHFFFAOYSA-N
XLogP0.69
TPSA94.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[4-ethoxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-ethoxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol (CID 71763884) is [1-[4-ethoxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-ethoxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-ethoxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol is CCOc1nc(N2CCC(CO)CC2)nc(N2CCC(CO)CC2)n1.
What is the InChIKey of [1-[4-ethoxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is VMWIXXFOSJQOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3/c1-2-25-17-19-15(21-7-3-13(11-23)4-8-21)18-16(20-17)22-9-5-14(12-24)6-10-22/h13-14,23-24H,2-12H2,1H3.
What are the key properties of [1-[4-ethoxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
[1-[4-ethoxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 351.45 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-ethoxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 71763884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).