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

C17H28N6O — CID 58865302

IUPAC1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)C1
InChIInChI=1S/C17H28N6O/c24-14-7-12-23(13-14)17-19-15(21-8-3-1-4-9-21)18-16(20-17)22-10-5-2-6-11-22/h14,24H,1-13H2
InChIKeyZBZKGFKAFFXLNV-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.42
Rot. Bonds3

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

1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-ol (PubChem CID 58865302) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-ol
PubChem CID58865302
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)C1
InChIInChI=1S/C17H28N6O/c24-14-7-12-23(13-14)17-19-15(21-8-3-1-4-9-21)18-16(20-17)22-10-5-2-6-11-22/h14,24H,1-13H2
InChIKeyZBZKGFKAFFXLNV-UHFFFAOYSA-N
XLogP1.42
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-ol (CID 58865302) is 1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-ol is OC1CCN(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)C1.
What is the InChIKey of 1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The InChIKey is ZBZKGFKAFFXLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O/c24-14-7-12-23(13-14)17-19-15(21-8-3-1-4-9-21)18-16(20-17)22-10-5-2-6-11-22/h14,24H,1-13H2.
What are the key properties of 1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-ol has a molecular weight of 332.45 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 58865302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).