2,4,6-tris(4-methylpiperidin-1-yl)-1,3,5-triazine

C21H36N6 — CID 1035143

IUPAC2,4,6-tris(4-methylpiperidin-1-yl)-1,3,5-triazine
SMILESCC1CCN(c2nc(N3CCC(C)CC3)nc(N3CCC(C)CC3)n2)CC1
InChIInChI=1S/C21H36N6/c1-16-4-10-25(11-5-16)19-22-20(26-12-6-17(2)7-13-26)24-21(23-19)27-14-8-18(3)9-15-27/h16-18H,4-15H2,1-3H3
InChIKeyCDBLPNONDPRNGN-UHFFFAOYSA-N
MW372.56 g/mol
LogP3.58
Rot. Bonds3

About 2,4,6-tris(4-methylpiperidin-1-yl)-1,3,5-triazine

2,4,6-tris(4-methylpiperidin-1-yl)-1,3,5-triazine (PubChem CID 1035143) has the molecular formula C21H36N6 and a molecular weight of 372.56 g/mol. Its IUPAC name is 2,4,6-tris(4-methylpiperidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(4-methylpiperidin-1-yl)-1,3,5-triazine
PubChem CID1035143
Molecular FormulaC21H36N6
Molecular Weight372.56 g/mol
Exact Mass372.30
IUPAC Name2,4,6-tris(4-methylpiperidin-1-yl)-1,3,5-triazine
SMILESCC1CCN(c2nc(N3CCC(C)CC3)nc(N3CCC(C)CC3)n2)CC1
InChIInChI=1S/C21H36N6/c1-16-4-10-25(11-5-16)19-22-20(26-12-6-17(2)7-13-26)24-21(23-19)27-14-8-18(3)9-15-27/h16-18H,4-15H2,1-3H3
InChIKeyCDBLPNONDPRNGN-UHFFFAOYSA-N
XLogP3.58
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Methylpiperidin-1-yl)-4,6-di(piperidin-1-yl)-1,3,5-triazine
CID 790419
2,4,6-Tri(piperidin-1-yl)-1,3,5-triazine
CID 2827031
2-Chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine
CID 698431
N,N-dimethyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 719062
2-Chloro-4,6-bis(3,5-dimethylpiperidin-1-yl)-1,3,5-triazine
CID 129874860
N,N-diethyl-4,6-bis(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazin-2-amine
CID 162403833
4,6-bis(1-methylpiperidin-1-ium-1-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine
CID 162403944
2,4,6-Tris(2-methylpiperidin-1-yl)-1,3,5-triazine
CID 4353525
2-Chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine;hydrochloride
CID 126477522
1-(4,6-Diethoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octane
CID 9839863
1-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octane chloride
CID 9882357
1-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-1-azoniabicyclo[2.2.2]octane
CID 9882358

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(4-methylpiperidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(4-methylpiperidin-1-yl)-1,3,5-triazine (CID 1035143) is 2,4,6-tris(4-methylpiperidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(4-methylpiperidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(4-methylpiperidin-1-yl)-1,3,5-triazine is CC1CCN(c2nc(N3CCC(C)CC3)nc(N3CCC(C)CC3)n2)CC1.
What is the InChIKey of 2,4,6-tris(4-methylpiperidin-1-yl)-1,3,5-triazine?
The InChIKey is CDBLPNONDPRNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6/c1-16-4-10-25(11-5-16)19-22-20(26-12-6-17(2)7-13-26)24-21(23-19)27-14-8-18(3)9-15-27/h16-18H,4-15H2,1-3H3.
What are the key properties of 2,4,6-tris(4-methylpiperidin-1-yl)-1,3,5-triazine?
2,4,6-tris(4-methylpiperidin-1-yl)-1,3,5-triazine has a molecular weight of 372.56 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(4-methylpiperidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 1035143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).