2,4-di(piperidin-1-yl)-6-prop-2-enoxy-1,3,5-triazine

C16H25N5O — CID 558854

IUPAC2,4-di(piperidin-1-yl)-6-prop-2-enoxy-1,3,5-triazine
SMILESC=CCOc1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H25N5O/c1-2-13-22-16-18-14(20-9-5-3-6-10-20)17-15(19-16)21-11-7-4-8-12-21/h2H,1,3-13H2
InChIKeyRUCDUSPQPFSBES-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.42
Rot. Bonds5

About 2,4-di(piperidin-1-yl)-6-prop-2-enoxy-1,3,5-triazine

2,4-di(piperidin-1-yl)-6-prop-2-enoxy-1,3,5-triazine (PubChem CID 558854) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 2,4-di(piperidin-1-yl)-6-prop-2-enoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(piperidin-1-yl)-6-prop-2-enoxy-1,3,5-triazine
PubChem CID558854
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name2,4-di(piperidin-1-yl)-6-prop-2-enoxy-1,3,5-triazine
SMILESC=CCOc1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H25N5O/c1-2-13-22-16-18-14(20-9-5-3-6-10-20)17-15(19-16)21-11-7-4-8-12-21/h2H,1,3-13H2
InChIKeyRUCDUSPQPFSBES-UHFFFAOYSA-N
XLogP2.42
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,4-di(piperidin-1-yl)-6-prop-2-enoxy-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-di(piperidin-1-yl)-6-prop-2-enoxy-1,3,5-triazine?
The IUPAC name of 2,4-di(piperidin-1-yl)-6-prop-2-enoxy-1,3,5-triazine (CID 558854) is 2,4-di(piperidin-1-yl)-6-prop-2-enoxy-1,3,5-triazine.
What is the SMILES notation for 2,4-di(piperidin-1-yl)-6-prop-2-enoxy-1,3,5-triazine?
The canonical SMILES for 2,4-di(piperidin-1-yl)-6-prop-2-enoxy-1,3,5-triazine is C=CCOc1nc(N2CCCCC2)nc(N2CCCCC2)n1.
What is the InChIKey of 2,4-di(piperidin-1-yl)-6-prop-2-enoxy-1,3,5-triazine?
The InChIKey is RUCDUSPQPFSBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-2-13-22-16-18-14(20-9-5-3-6-10-20)17-15(19-16)21-11-7-4-8-12-21/h2H,1,3-13H2.
What are the key properties of 2,4-di(piperidin-1-yl)-6-prop-2-enoxy-1,3,5-triazine?
2,4-di(piperidin-1-yl)-6-prop-2-enoxy-1,3,5-triazine has a molecular weight of 303.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(piperidin-1-yl)-6-prop-2-enoxy-1,3,5-triazine is sourced from PubChem (CID 558854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).