2,4,6-tri(piperidin-4-yl)-1,3,5-triazinane

C18H36N6 — CID 5246414

IUPAC2,4,6-tri(piperidin-4-yl)-1,3,5-triazinane
SMILESC1CC(C2NC(C3CCNCC3)NC(C3CCNCC3)N2)CCN1
InChIInChI=1S/C18H36N6/c1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15/h13-24H,1-12H2
InChIKeyFZAQZBAGSHCAKY-UHFFFAOYSA-N
MW336.53 g/mol
LogP-0.25
Rot. Bonds3

About 2,4,6-tri(piperidin-4-yl)-1,3,5-triazinane

2,4,6-tri(piperidin-4-yl)-1,3,5-triazinane (PubChem CID 5246414) has the molecular formula C18H36N6 and a molecular weight of 336.53 g/mol. Its IUPAC name is 2,4,6-tri(piperidin-4-yl)-1,3,5-triazinane.

Molecular Properties

Compound Name2,4,6-tri(piperidin-4-yl)-1,3,5-triazinane
PubChem CID5246414
Molecular FormulaC18H36N6
Molecular Weight336.53 g/mol
Exact Mass336.30
IUPAC Name2,4,6-tri(piperidin-4-yl)-1,3,5-triazinane
SMILESC1CC(C2NC(C3CCNCC3)NC(C3CCNCC3)N2)CCN1
InChIInChI=1S/C18H36N6/c1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15/h13-24H,1-12H2
InChIKeyFZAQZBAGSHCAKY-UHFFFAOYSA-N
XLogP-0.25
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.53
LogP ≤ 5-0.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tri(piperidin-4-yl)-1,3,5-triazinane?
The IUPAC name of 2,4,6-tri(piperidin-4-yl)-1,3,5-triazinane (CID 5246414) is 2,4,6-tri(piperidin-4-yl)-1,3,5-triazinane.
What is the SMILES notation for 2,4,6-tri(piperidin-4-yl)-1,3,5-triazinane?
The canonical SMILES for 2,4,6-tri(piperidin-4-yl)-1,3,5-triazinane is C1CC(C2NC(C3CCNCC3)NC(C3CCNCC3)N2)CCN1.
What is the InChIKey of 2,4,6-tri(piperidin-4-yl)-1,3,5-triazinane?
The InChIKey is FZAQZBAGSHCAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N6/c1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15/h13-24H,1-12H2.
What are the key properties of 2,4,6-tri(piperidin-4-yl)-1,3,5-triazinane?
2,4,6-tri(piperidin-4-yl)-1,3,5-triazinane has a molecular weight of 336.53 g/mol, XLogP of -0.25, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(piperidin-4-yl)-1,3,5-triazinane is sourced from PubChem (CID 5246414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).