4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]benzaldehyde

C20H25N5O2 — CID 156597626

IUPAC4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]benzaldehyde
SMILESO=Cc1ccc(Oc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C20H25N5O2/c26-15-16-7-9-17(10-8-16)27-20-22-18(24-11-3-1-4-12-24)21-19(23-20)25-13-5-2-6-14-25/h7-10,15H,1-6,11-14H2
InChIKeyFEMIBZOQCUPHPN-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.46
Rot. Bonds5

About 4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]benzaldehyde

4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]benzaldehyde (PubChem CID 156597626) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]benzaldehyde.

Molecular Properties

Compound Name4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]benzaldehyde
PubChem CID156597626
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]benzaldehyde
SMILESO=Cc1ccc(Oc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C20H25N5O2/c26-15-16-7-9-17(10-8-16)27-20-22-18(24-11-3-1-4-12-24)21-19(23-20)25-13-5-2-6-14-25/h7-10,15H,1-6,11-14H2
InChIKeyFEMIBZOQCUPHPN-UHFFFAOYSA-N
XLogP3.46
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
The IUPAC name of 4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]benzaldehyde (CID 156597626) is 4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]benzaldehyde.
What is the SMILES notation for 4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
The canonical SMILES for 4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]benzaldehyde is O=Cc1ccc(Oc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of 4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
The InChIKey is FEMIBZOQCUPHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-15-16-7-9-17(10-8-16)27-20-22-18(24-11-3-1-4-12-24)21-19(23-20)25-13-5-2-6-14-25/h7-10,15H,1-6,11-14H2.
What are the key properties of 4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]benzaldehyde has a molecular weight of 367.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]benzaldehyde is sourced from PubChem (CID 156597626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).