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

C23H42N4O3 — CID 71764080

IUPAC[1-(4,6-diheptoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
SMILESCCCCCCCOc1nc(OCCCCCCC)nc(N2CCC(CO)CC2)n1
InChIInChI=1S/C23H42N4O3/c1-3-5-7-9-11-17-29-22-24-21(27-15-13-20(19-28)14-16-27)25-23(26-22)30-18-12-10-8-6-4-2/h20,28H,3-19H2,1-2H3
InChIKeyPIYIMHDAMMPLFN-UHFFFAOYSA-N
MW422.61 g/mol
LogP4.78
Rot. Bonds16

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

[1-(4,6-diheptoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol (PubChem CID 71764080) has the molecular formula C23H42N4O3 and a molecular weight of 422.61 g/mol. Its IUPAC name is [1-(4,6-diheptoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(4,6-diheptoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
PubChem CID71764080
Molecular FormulaC23H42N4O3
Molecular Weight422.61 g/mol
Exact Mass422.33
IUPAC Name[1-(4,6-diheptoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
SMILESCCCCCCCOc1nc(OCCCCCCC)nc(N2CCC(CO)CC2)n1
InChIInChI=1S/C23H42N4O3/c1-3-5-7-9-11-17-29-22-24-21(27-15-13-20(19-28)14-16-27)25-23(26-22)30-18-12-10-8-6-4-2/h20,28H,3-19H2,1-2H3
InChIKeyPIYIMHDAMMPLFN-UHFFFAOYSA-N
XLogP4.78
TPSA80.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(4,6-diheptoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(4,6-diheptoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol (CID 71764080) is [1-(4,6-diheptoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(4,6-diheptoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(4,6-diheptoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol is CCCCCCCOc1nc(OCCCCCCC)nc(N2CCC(CO)CC2)n1.
What is the InChIKey of [1-(4,6-diheptoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
The InChIKey is PIYIMHDAMMPLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4O3/c1-3-5-7-9-11-17-29-22-24-21(27-15-13-20(19-28)14-16-27)25-23(26-22)30-18-12-10-8-6-4-2/h20,28H,3-19H2,1-2H3.
What are the key properties of [1-(4,6-diheptoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
[1-(4,6-diheptoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol has a molecular weight of 422.61 g/mol, XLogP of 4.78, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,6-diheptoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 71764080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).