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

C16H26N6O — CID 27396202

IUPACN-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]propan-2-imine
SMILESCC(C)=NOc1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H26N6O/c1-13(2)20-23-16-18-14(21-9-5-3-6-10-21)17-15(19-16)22-11-7-4-8-12-22/h3-12H2,1-2H3
InChIKeyGFTZAWKQILQYFN-UHFFFAOYSA-N
MW318.43 g/mol
LogP2.63
Rot. Bonds4

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

N-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]propan-2-imine (PubChem CID 27396202) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is N-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]propan-2-imine.

Molecular Properties

Compound NameN-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]propan-2-imine
PubChem CID27396202
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC NameN-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]propan-2-imine
SMILESCC(C)=NOc1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H26N6O/c1-13(2)20-23-16-18-14(21-9-5-3-6-10-21)17-15(19-16)22-11-7-4-8-12-22/h3-12H2,1-2H3
InChIKeyGFTZAWKQILQYFN-UHFFFAOYSA-N
XLogP2.63
TPSA66.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]propan-2-imine?
The IUPAC name of N-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]propan-2-imine (CID 27396202) is N-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]propan-2-imine.
What is the SMILES notation for N-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]propan-2-imine?
The canonical SMILES for N-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]propan-2-imine is CC(C)=NOc1nc(N2CCCCC2)nc(N2CCCCC2)n1.
What is the InChIKey of N-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]propan-2-imine?
The InChIKey is GFTZAWKQILQYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-13(2)20-23-16-18-14(21-9-5-3-6-10-21)17-15(19-16)22-11-7-4-8-12-22/h3-12H2,1-2H3.
What are the key properties of N-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]propan-2-imine?
N-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]propan-2-imine has a molecular weight of 318.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]propan-2-imine is sourced from PubChem (CID 27396202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).